1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one

C10H14F4O — CID 84735782

IUPAC1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one
SMILESCC(=O)CC1CCC(F)(C(F)(F)F)CC1
InChIInChI=1S/C10H14F4O/c1-7(15)6-8-2-4-9(11,5-3-8)10(12,13)14/h8H,2-6H2,1H3
InChIKeyBGJLGEZUVVGXDX-UHFFFAOYSA-N
MW226.21 g/mol
LogP3.43
Rot. Bonds2

About 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one

1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one (PubChem CID 84735782) has the molecular formula C10H14F4O and a molecular weight of 226.21 g/mol. Its IUPAC name is 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one
PubChem CID84735782
Molecular FormulaC10H14F4O
Molecular Weight226.21 g/mol
Exact Mass226.10
IUPAC Name1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one
SMILESCC(=O)CC1CCC(F)(C(F)(F)F)CC1
InChIInChI=1S/C10H14F4O/c1-7(15)6-8-2-4-9(11,5-3-8)10(12,13)14/h8H,2-6H2,1H3
InChIKeyBGJLGEZUVVGXDX-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine
CID 84735871
1-cyclohexadecylpropan-2-one
CID 175123721
2-[3-fluoro-3-(trifluoromethyl)cyclohexyl]acetic acid
CID 84735978
3,3-dimethyl-1-[4-(2-oxopropyl)cyclohexyl]butan-2-one
CID 21340947
ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one
CID 142379007
4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine
CID 84737988
1-[4-(1,1-dihydroxyethyl)cyclohexyl]propan-2-one
CID 174392366
4-bromo-1-fluoro-1-(trifluoromethyl)cyclohexane
CID 84737631
ethane;2-(4-fluoro-4-methylcyclohexyl)acetamide
CID 145029599
2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid
CID 105455969
1-(1-acetylpiperidin-4-yl)propan-2-one
CID 20685211
3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-2,2-dimethylpropanoic acid
CID 84738712

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one?
The IUPAC name of 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one (CID 84735782) is 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one.
What is the SMILES notation for 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one?
The canonical SMILES for 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one is CC(=O)CC1CCC(F)(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one?
The InChIKey is BGJLGEZUVVGXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4O/c1-7(15)6-8-2-4-9(11,5-3-8)10(12,13)14/h8H,2-6H2,1H3.
What are the key properties of 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one?
1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one has a molecular weight of 226.21 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one is sourced from PubChem (CID 84735782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).