1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene

C14H17F3 — CID 67129674

IUPAC1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(CC2CCCCC2)cc1
InChIInChI=1S/C14H17F3/c15-14(16,17)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeyKFASIPAJMXMOTA-UHFFFAOYSA-N
MW242.28 g/mol
LogP4.83
Rot. Bonds2

About 1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene

1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene (PubChem CID 67129674) has the molecular formula C14H17F3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
PubChem CID67129674
Molecular FormulaC14H17F3
Molecular Weight242.28 g/mol
Exact Mass242.13
IUPAC Name1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(CC2CCCCC2)cc1
InChIInChI=1S/C14H17F3/c15-14(16,17)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeyKFASIPAJMXMOTA-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene (CID 67129674) is 1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(CC2CCCCC2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene?
The InChIKey is KFASIPAJMXMOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3/c15-14(16,17)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2.
What are the key properties of 1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene?
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene has a molecular weight of 242.28 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 67129674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).