N-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide

C9H14F4N2O — CID 176856836

IUPACN-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)N[C@@H]1CCCC(F)(F)[C@H]1N
InChIInChI=1S/C9H14F4N2O/c1-8(10,11)7(16)15-5-3-2-4-9(12,13)6(5)14/h5-6H,2-4,14H2,1H3,(H,15,16)/t5-,6+/m1/s1
InChIKeyHGDUUAUNQMBZMI-RITPCOANSA-N
MW242.22 g/mol
LogP1.27
Rot. Bonds2

About N-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide

N-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide (PubChem CID 176856836) has the molecular formula C9H14F4N2O and a molecular weight of 242.22 g/mol. Its IUPAC name is N-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide
PubChem CID176856836
Molecular FormulaC9H14F4N2O
Molecular Weight242.22 g/mol
Exact Mass242.10
IUPAC NameN-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)N[C@@H]1CCCC(F)(F)[C@H]1N
InChIInChI=1S/C9H14F4N2O/c1-8(10,11)7(16)15-5-3-2-4-9(12,13)6(5)14/h5-6H,2-4,14H2,1H3,(H,15,16)/t5-,6+/m1/s1
InChIKeyHGDUUAUNQMBZMI-RITPCOANSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-2-amino-3,3-difluorocyclohexyl]carbamic acid
CID 68779730
trans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid
CID 162304841
[(1S,2S)-2-amino-3,3-difluorocyclohexyl] acetate
CID 172554517
[(1R,2S)-2-amino-3,3-difluorocyclohexyl] 2,2,2-trifluoroacetate
CID 172554528
tert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate
CID 76672221
trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol
CID 58385996
tert-butyl N-[(1S,2S)-2-azido-3,3-difluorocyclohexyl]carbamate
CID 123311477
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide
CID 131048531
[(1R,2S)-2-amino-3,3-difluorocyclohexyl] carbamate
CID 175007115
2,2-difluoro-N-(4-oxocyclohexyl)propanamide
CID 131072178
2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 131131747

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide?
The IUPAC name of N-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide (CID 176856836) is N-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide.
What is the SMILES notation for N-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide?
The canonical SMILES for N-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide is CC(F)(F)C(=O)N[C@@H]1CCCC(F)(F)[C@H]1N.
What is the InChIKey of N-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide?
The InChIKey is HGDUUAUNQMBZMI-RITPCOANSA-N. The full InChI is InChI=1S/C9H14F4N2O/c1-8(10,11)7(16)15-5-3-2-4-9(12,13)6(5)14/h5-6H,2-4,14H2,1H3,(H,15,16)/t5-,6+/m1/s1.
What are the key properties of N-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide?
N-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide has a molecular weight of 242.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-amino-3,3-difluorocyclohexyl]-2,2-difluoropropanamide is sourced from PubChem (CID 176856836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).