4,4-difluoro-1-methylpyrrolidine-3-carboxylic acid

4,4-difluoro-1-methylpyrrolidine-3-carboxylic acid

CAS: 1779842-14-6

Formula: C6H9F2NO2

SMILES: CN1CC(C(O)=O)C(F)(F)C1

IUPAC: 4,4-difluoro-1-methylpyrrolidine-3-carboxylic acid

InChI: InChI=1/C6H9F2NO2/c1-9-2-4(5(10)11)6(7,8)3-9/h4H,2-3H2,1H3,(H,10,11)

Composition: C (43.64%), H (5.49%), F (23.01%), N (8.48%), O (19.38%)

Molar Mass: 165.14

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	165.06013486
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DKIZLXNVTNPSPN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.53
Topological Polar Surface Area	40.54
Polarizability	12.85
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1779842-14-6		$244.63-$673.37$244.63$392.17$673.37