(4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one

C10H17F2NO — CID 121426448

IUPAC(4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one
SMILESCC(=O)C[C@@H](N)C1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO/c1-7(14)6-9(13)8-2-4-10(11,12)5-3-8/h8-9H,2-6,13H2,1H3/t9-/m1/s1
InChIKeyCCERRZKKNJIPIX-SECBINFHSA-N
MW205.25 g/mol
LogP2.12
Rot. Bonds3

About (4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one

(4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one (PubChem CID 121426448) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is (4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one.

Molecular Properties

Compound Name(4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one
PubChem CID121426448
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one
SMILESCC(=O)C[C@@H](N)C1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO/c1-7(14)6-9(13)8-2-4-10(11,12)5-3-8/h8-9H,2-6,13H2,1H3/t9-/m1/s1
InChIKeyCCERRZKKNJIPIX-SECBINFHSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Aminocyclohexyl)ethan-1-one hydrochloride
CID 86775855
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-amino-1-(4,4-difluorocyclohexyl)propan-2-one
CID 59115482

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one?
The IUPAC name of (4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one (CID 121426448) is (4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one.
What is the SMILES notation for (4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one?
The canonical SMILES for (4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one is CC(=O)C[C@@H](N)C1CCC(F)(F)CC1.
What is the InChIKey of (4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one?
The InChIKey is CCERRZKKNJIPIX-SECBINFHSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-7(14)6-9(13)8-2-4-10(11,12)5-3-8/h8-9H,2-6,13H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one?
(4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one has a molecular weight of 205.25 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one is sourced from PubChem (CID 121426448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).