7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one

C14H25F2NO — CID 139888232

IUPAC7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one
SMILESCC(CN)CC(F)(F)C(=O)CCC1CCCCC1
InChIInChI=1S/C14H25F2NO/c1-11(10-17)9-14(15,16)13(18)8-7-12-5-3-2-4-6-12/h11-12H,2-10,17H2,1H3
InChIKeyCCSYUZPQQVFKEY-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.54
Rot. Bonds7

About 7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one

7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one (PubChem CID 139888232) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one.

Molecular Properties

Compound Name7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one
PubChem CID139888232
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one
SMILESCC(CN)CC(F)(F)C(=O)CCC1CCCCC1
InChIInChI=1S/C14H25F2NO/c1-11(10-17)9-14(15,16)13(18)8-7-12-5-3-2-4-6-12/h11-12H,2-10,17H2,1H3
InChIKeyCCSYUZPQQVFKEY-UHFFFAOYSA-N
XLogP3.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.54
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-methylheptane-3,5-dione
CID 21660229
(2S)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-dione
CID 53828519
(1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one
CID 59115482
6-Amino-1,1,1-trifluoro-3-methylnonan-2-one
CID 88586887
1-Amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one
CID 121368343
1-Amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one
CID 121371206
(4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one
CID 121426448
2-(Aminomethyl)-4-(1,1-difluoropropyl)-3-methylcyclohexan-1-one
CID 135136296
1-Amino-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one
CID 138525042
7-Amino-4,4-difluoro-2-methylheptan-3-one
CID 138747779

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one?
The IUPAC name of 7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one (CID 139888232) is 7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one.
What is the SMILES notation for 7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one?
The canonical SMILES for 7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one is CC(CN)CC(F)(F)C(=O)CCC1CCCCC1.
What is the InChIKey of 7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one?
The InChIKey is CCSYUZPQQVFKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-11(10-17)9-14(15,16)13(18)8-7-12-5-3-2-4-6-12/h11-12H,2-10,17H2,1H3.
What are the key properties of 7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one?
7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one has a molecular weight of 261.36 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one is sourced from PubChem (CID 139888232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).