(2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide

C9H16F2N2O — CID 130942417

IUPAC(2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide
SMILESC[C@H](N)C(=O)NC1CCCCC1(F)F
InChIInChI=1S/C9H16F2N2O/c1-6(12)8(14)13-7-4-2-3-5-9(7,10)11/h6-7H,2-5,12H2,1H3,(H,13,14)/t6-,7?/m0/s1
InChIKeyPWDKCCFYBISMNQ-PKPIPKONSA-N
MW206.24 g/mol
LogP1.03
Rot. Bonds2

About (2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide

(2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide (PubChem CID 130942417) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide
PubChem CID130942417
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide
SMILESC[C@H](N)C(=O)NC1CCCCC1(F)F
InChIInChI=1S/C9H16F2N2O/c1-6(12)8(14)13-7-4-2-3-5-9(7,10)11/h6-7H,2-5,12H2,1H3,(H,13,14)/t6-,7?/m0/s1
InChIKeyPWDKCCFYBISMNQ-PKPIPKONSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluorocyclopentyl)-2-hydroxypropanamide
CID 131131943
2-[[(2R)-2-aminopropanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213563
2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214083
(2,2-difluorocyclohexyl)urea
CID 131126356
tert-butyl N-(2,2-difluorocyclohexyl)carbamate
CID 70317429
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
2-amino-N-(2,2-dimethylcyclohexyl)-4-methylpentanamide
CID 79878464
N-(2-hydroxy-2-methylcyclohexyl)-2-methylpropanamide
CID 137457356
(2R)-2-amino-N-(2,2-dimethylcyclohexyl)butanamide
CID 79878292
N-(2,2-difluorocyclopentyl)butanamide
CID 127009453
2-amino-N-(2,2-dimethylthietan-3-yl)propanamide
CID 127011786
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide (CID 130942417) is (2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide is C[C@H](N)C(=O)NC1CCCCC1(F)F.
What is the InChIKey of (2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide?
The InChIKey is PWDKCCFYBISMNQ-PKPIPKONSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-6(12)8(14)13-7-4-2-3-5-9(7,10)11/h6-7H,2-5,12H2,1H3,(H,13,14)/t6-,7?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide?
(2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide has a molecular weight of 206.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide is sourced from PubChem (CID 130942417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).