(1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one

C9H15F2NO — CID 59115482

IUPAC(1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one
SMILESCC(=O)[C@@H](N)C1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO/c1-6(13)8(12)7-2-4-9(10,11)5-3-7/h7-8H,2-5,12H2,1H3/t8-/m1/s1
InChIKeyKDHHFTCRIRLHED-MRVPVSSYSA-N
MW191.22 g/mol
LogP1.73
Rot. Bonds2

About (1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one

(1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one (PubChem CID 59115482) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is (1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one.

Molecular Properties

Compound Name(1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one
PubChem CID59115482
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name(1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one
SMILESCC(=O)[C@@H](N)C1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO/c1-6(13)8(12)7-2-4-9(10,11)5-3-7/h7-8H,2-5,12H2,1H3/t8-/m1/s1
InChIKeyKDHHFTCRIRLHED-MRVPVSSYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1-(4,4-difluorocyclohexyl)ethan-1-one hydrochloride
CID 121553690
3-Amino-4,4-difluoro-2-methyltridecan-5-one
CID 11615909
2-Amino-1-cyclohexyl-4,4-difluoro-6-methyl-5-sulfanylheptan-3-one
CID 19351555
2-Amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-dione
CID 21660229
(2S)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-dione
CID 53828519
2-Amino-1-cyclohexyl-4,4-difluoro-6-methyl-1-sulfanylheptan-3-one
CID 56973811
(4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-one
CID 56988466
(2S)-2-amino-1-cyclohexyl-4,4-difluoro-6-methyl-1-sulfanylheptan-3-one
CID 57500982
1-(3-Aminocyclohexyl)ethanone
CID 57953949
(1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one
CID 59115403
(1S)-1-azido-1-(4,4-difluorocyclohexyl)propan-2-one
CID 59115465
(2S)-2-amino-1-cyclohexyl-4,4-difluoro-6-methyl-5-sulfanylheptan-3-one
CID 88080411

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one?
The IUPAC name of (1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one (CID 59115482) is (1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one.
What is the SMILES notation for (1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one?
The canonical SMILES for (1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one is CC(=O)[C@@H](N)C1CCC(F)(F)CC1.
What is the InChIKey of (1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one?
The InChIKey is KDHHFTCRIRLHED-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-6(13)8(12)7-2-4-9(10,11)5-3-7/h7-8H,2-5,12H2,1H3/t8-/m1/s1.
What are the key properties of (1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one?
(1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one has a molecular weight of 191.22 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one is sourced from PubChem (CID 59115482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).