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1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]methanamine

1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]methanamine

CAS: 1427195-04-7

Formula: C7H9F2N3

SMILES: CC(F)(F)C1=NC=NC=C1CN

IUPAC: 1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]methanamine

InChI: InChI=1S/C7H9F2N3/c1-7(8,9)6-5(2-10)3-11-4-12-6/h3-4H,2,10H2,1H3

Composition: C (48.55%), H (5.24%), F (21.94%), N (24.27%)

Molar Mass: 173.167

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 173.076453628
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XEKYGFQRDJMXGC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.93
Topological Polar Surface Area 51.8
Polarizability 15.12
Ring Count 1
Rotatable Bond Count 2

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98% <2 Days 1427195-04-7 $342.70-$6,762.00$342.70$457.70$687.70$1,127.00$1,817.00$6,762.00
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