[4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone

C15H16F4O2 — CID 107288374

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone
SMILESO=C(c1ccc(F)c(C(F)(F)F)c1)C1(O)CCCCCC1
InChIInChI=1S/C15H16F4O2/c16-12-6-5-10(9-11(12)15(17,18)19)13(20)14(21)7-3-1-2-4-8-14/h5-6,9,21H,1-4,7-8H2
InChIKeyNUXXJZIPEKJZSL-UHFFFAOYSA-N
MW304.28 g/mol
LogP4.11
Rot. Bonds2

About [4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone

[4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone (PubChem CID 107288374) has the molecular formula C15H16F4O2 and a molecular weight of 304.28 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone
PubChem CID107288374
Molecular FormulaC15H16F4O2
Molecular Weight304.28 g/mol
Exact Mass304.11
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone
SMILESO=C(c1ccc(F)c(C(F)(F)F)c1)C1(O)CCCCCC1
InChIInChI=1S/C15H16F4O2/c16-12-6-5-10(9-11(12)15(17,18)19)13(20)14(21)7-3-1-2-4-8-14/h5-6,9,21H,1-4,7-8H2
InChIKeyNUXXJZIPEKJZSL-UHFFFAOYSA-N
XLogP4.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291162
(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone
CID 20523462
4-fluoro-3-(trifluoromethyl)benzoate
CID 6921666
2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114967621
cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate
CID 63839194
cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 62078132
4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide
CID 103737493
1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone
CID 175084066
[1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288197
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114969279
(3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447660
[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291161

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone (CID 107288374) is [4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone is O=C(c1ccc(F)c(C(F)(F)F)c1)C1(O)CCCCCC1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone?
The InChIKey is NUXXJZIPEKJZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4O2/c16-12-6-5-10(9-11(12)15(17,18)19)13(20)14(21)7-3-1-2-4-8-14/h5-6,9,21H,1-4,7-8H2.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone?
[4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone has a molecular weight of 304.28 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone is sourced from PubChem (CID 107288374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).