4-(fluoromethyl)-4-hydroxycyclohexan-1-one

C7H11FO2 — CID 156855518

IUPAC4-(fluoromethyl)-4-hydroxycyclohexan-1-one
SMILESO=C1CCC(O)(CF)CC1
InChIInChI=1S/C7H11FO2/c8-5-7(10)3-1-6(9)2-4-7/h10H,1-5H2
InChIKeyPSSZGWCYPRHYAK-UHFFFAOYSA-N
MW146.16 g/mol
LogP0.83
Rot. Bonds1

About 4-(fluoromethyl)-4-hydroxycyclohexan-1-one

4-(fluoromethyl)-4-hydroxycyclohexan-1-one (PubChem CID 156855518) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 4-(fluoromethyl)-4-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name4-(fluoromethyl)-4-hydroxycyclohexan-1-one
PubChem CID156855518
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name4-(fluoromethyl)-4-hydroxycyclohexan-1-one
SMILESO=C1CCC(O)(CF)CC1
InChIInChI=1S/C7H11FO2/c8-5-7(10)3-1-6(9)2-4-7/h10H,1-5H2
InChIKeyPSSZGWCYPRHYAK-UHFFFAOYSA-N
XLogP0.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxy-4-methylcyclohexanone
CID 28539
4-Ethyl-4-hydroxycyclohexan-1-one
CID 11367049
4-Hydroxy-4-(trifluoromethyl)cyclohexan-1-one
CID 20035142
4-Hydroxy-4-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-one
CID 135259187
2-Fluoro-5-hydroxy-5-methylcyclohexan-1-one
CID 13240941
4-Hydroxy-4-(3,3,3-trifluoropropyl)cyclohexan-1-one
CID 65916141
4-(Difluoromethyl)-4-hydroxycyclohexan-1-one
CID 80605227
4-[Bromo(difluoro)methyl]-4-hydroxycyclohexan-1-one
CID 107140216
4-Hydroxy-4-(4,4,4-trifluorobutyl)cyclohexan-1-one
CID 115515606
3-Fluoro-3-(hydroxymethyl)cyclohexan-1-one
CID 130067849
4-Hydroxy-4-methylcyclohexan-1-one;rutherfordium
CID 59885051

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-4-hydroxycyclohexan-1-one?
The IUPAC name of 4-(fluoromethyl)-4-hydroxycyclohexan-1-one (CID 156855518) is 4-(fluoromethyl)-4-hydroxycyclohexan-1-one.
What is the SMILES notation for 4-(fluoromethyl)-4-hydroxycyclohexan-1-one?
The canonical SMILES for 4-(fluoromethyl)-4-hydroxycyclohexan-1-one is O=C1CCC(O)(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)-4-hydroxycyclohexan-1-one?
The InChIKey is PSSZGWCYPRHYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c8-5-7(10)3-1-6(9)2-4-7/h10H,1-5H2.
What are the key properties of 4-(fluoromethyl)-4-hydroxycyclohexan-1-one?
4-(fluoromethyl)-4-hydroxycyclohexan-1-one has a molecular weight of 146.16 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-4-hydroxycyclohexan-1-one is sourced from PubChem (CID 156855518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).