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2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

CAS: 1215072-94-8

Formula: C11H8F3N3

SMILES: NC1=CC=NC(=N1)C1=CC=C(C=C1)C(F)(F)F

IUPAC: 2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

InChI: InChI=1S/C11H8F3N3/c12-11(13,14)8-3-1-7(2-4-8)10-16-6-5-9(15)17-10/h1-6H,(H2,15,16,17)

Composition: C (55.23%), H (3.37%), F (23.83%), N (17.57%)

Molar Mass: 239.201

Atom Count: 25

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 239.067031759
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WSBKQOFMPKHHDB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.12
Topological Polar Surface Area 51.8
Polarizability 21.02
Ring Count 2
Rotatable Bond Count 2

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