[5-[1-(3-methylcyclohexyl)propan-2-yl]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone

C27H33F3O — CID 58367701

IUPAC[5-[1-(3-methylcyclohexyl)propan-2-yl]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone
SMILESCC1CCCC(CC(C)c2ccc(C(F)(F)F)c(C(=O)c3ccccc3C(C)C)c2)C1
InChIInChI=1S/C27H33F3O/c1-17(2)22-10-5-6-11-23(22)26(31)24-16-21(12-13-25(24)27(28,29)30)19(4)15-20-9-7-8-18(3)14-20/h5-6,10-13,16-20H,7-9,14-15H2,1-4H3
InChIKeyGLLJCJKXYIAOKA-UHFFFAOYSA-N
MW430.55 g/mol
LogP8.38
Rot. Bonds6

About [5-[1-(3-methylcyclohexyl)propan-2-yl]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone

[5-[1-(3-methylcyclohexyl)propan-2-yl]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone (PubChem CID 58367701) has the molecular formula C27H33F3O and a molecular weight of 430.55 g/mol. Its IUPAC name is [5-[1-(3-methylcyclohexyl)propan-2-yl]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[5-[1-(3-methylcyclohexyl)propan-2-yl]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone
PubChem CID58367701
Molecular FormulaC27H33F3O
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Name[5-[1-(3-methylcyclohexyl)propan-2-yl]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone
SMILESCC1CCCC(CC(C)c2ccc(C(F)(F)F)c(C(=O)c3ccccc3C(C)C)c2)C1
InChIInChI=1S/C27H33F3O/c1-17(2)22-10-5-6-11-23(22)26(31)24-16-21(12-13-25(24)27(28,29)30)19(4)15-20-9-7-8-18(3)14-20/h5-6,10-13,16-20H,7-9,14-15H2,1-4H3
InChIKeyGLLJCJKXYIAOKA-UHFFFAOYSA-N
XLogP8.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 6763
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CID 7018
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CID 89440
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CID 7122
CID 7122
CID 160142
CID 160142
CID 6772
CID 6772
CID 6773
CID 6773
CID 6985
CID 6985
CID 66532
CID 66532
CID 69885
CID 69885
CID 122909
CID 122909
CID 317256
CID 317256

Frequently Asked Questions

What is the IUPAC name of [5-[1-(3-methylcyclohexyl)propan-2-yl]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone?
The IUPAC name of [5-[1-(3-methylcyclohexyl)propan-2-yl]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone (CID 58367701) is [5-[1-(3-methylcyclohexyl)propan-2-yl]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone.
What is the SMILES notation for [5-[1-(3-methylcyclohexyl)propan-2-yl]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone?
The canonical SMILES for [5-[1-(3-methylcyclohexyl)propan-2-yl]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone is CC1CCCC(CC(C)c2ccc(C(F)(F)F)c(C(=O)c3ccccc3C(C)C)c2)C1.
What is the InChIKey of [5-[1-(3-methylcyclohexyl)propan-2-yl]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone?
The InChIKey is GLLJCJKXYIAOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F3O/c1-17(2)22-10-5-6-11-23(22)26(31)24-16-21(12-13-25(24)27(28,29)30)19(4)15-20-9-7-8-18(3)14-20/h5-6,10-13,16-20H,7-9,14-15H2,1-4H3.
What are the key properties of [5-[1-(3-methylcyclohexyl)propan-2-yl]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone?
[5-[1-(3-methylcyclohexyl)propan-2-yl]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone has a molecular weight of 430.55 g/mol, XLogP of 8.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(3-methylcyclohexyl)propan-2-yl]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone is sourced from PubChem (CID 58367701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).