N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-fluoro-2-methylpropanamide

C8H12F3NO — CID 130992055

IUPACN-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)N[C@H]1C[C@@H]1C(F)F
InChIInChI=1S/C8H12F3NO/c1-8(2,11)7(13)12-5-3-4(5)6(9)10/h4-6H,3H2,1-2H3,(H,12,13)/t4-,5-/m0/s1
InChIKeyOELKNVVHAHVPJB-WHFBIAKZSA-N
MW195.18 g/mol
LogP1.50
Rot. Bonds3

About N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-fluoro-2-methylpropanamide

N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-fluoro-2-methylpropanamide (PubChem CID 130992055) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-fluoro-2-methylpropanamide
PubChem CID130992055
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)N[C@H]1C[C@@H]1C(F)F
InChIInChI=1S/C8H12F3NO/c1-8(2,11)7(13)12-5-3-4(5)6(9)10/h4-6H,3H2,1-2H3,(H,12,13)/t4-,5-/m0/s1
InChIKeyOELKNVVHAHVPJB-WHFBIAKZSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-methylcyclopropane-1-carboxamide
CID 130892896
propan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate
CID 139305761
2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride
CID 136575931
N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2-fluoro-2-methylpropanamide
CID 130612782
2-fluoro-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 130165281
2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide
CID 103733541
N-(4-aminocyclohexyl)-2-fluoro-2-methylpropanamide
CID 126982038
2,2,3,3-tetrafluoro-N-(2-methoxycyclopentyl)propanamide
CID 103758662
propan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate
CID 160821791
2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide
CID 130165186
tert-butyl N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]carbamate
CID 137480616
N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide
CID 106441937

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-fluoro-2-methylpropanamide?
The IUPAC name of N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-fluoro-2-methylpropanamide (CID 130992055) is N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-fluoro-2-methylpropanamide is CC(C)(F)C(=O)N[C@H]1C[C@@H]1C(F)F.
What is the InChIKey of N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-fluoro-2-methylpropanamide?
The InChIKey is OELKNVVHAHVPJB-WHFBIAKZSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-8(2,11)7(13)12-5-3-4(5)6(9)10/h4-6H,3H2,1-2H3,(H,12,13)/t4-,5-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-fluoro-2-methylpropanamide?
N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-fluoro-2-methylpropanamide has a molecular weight of 195.18 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 130992055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).