4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde

C14H15F3O — CID 175214465

IUPAC4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H15F3O/c15-14(16,17)13-4-2-1-3-12(13)11-7-5-10(9-18)6-8-11/h1-4,9-11H,5-8H2
InChIKeyCVEGSLIUXFZHOU-UHFFFAOYSA-N
MW256.27 g/mol
LogP4.18
Rot. Bonds2

About 4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde

4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde (PubChem CID 175214465) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
PubChem CID175214465
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H15F3O/c15-14(16,17)13-4-2-1-3-12(13)11-7-5-10(9-18)6-8-11/h1-4,9-11H,5-8H2
InChIKeyCVEGSLIUXFZHOU-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde (CID 175214465) is 4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde is O=CC1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde?
The InChIKey is CVEGSLIUXFZHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O/c15-14(16,17)13-4-2-1-3-12(13)11-7-5-10(9-18)6-8-11/h1-4,9-11H,5-8H2.
What are the key properties of 4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde?
4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde has a molecular weight of 256.27 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 175214465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).