1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde

C22H31FO — CID 139715359

IUPAC1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde
SMILESO=CC1(C2CCC(c3ccc(CCCF)cc3)CC2)CCCCC1
InChIInChI=1S/C22H31FO/c23-16-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22(17-24)14-2-1-3-15-22/h6-9,17,20-21H,1-5,10-16H2
InChIKeyKOWKDLITPCDABO-UHFFFAOYSA-N
MW330.49 g/mol
LogP6.01
Rot. Bonds6

About 1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde

1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde (PubChem CID 139715359) has the molecular formula C22H31FO and a molecular weight of 330.49 g/mol. Its IUPAC name is 1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde
PubChem CID139715359
Molecular FormulaC22H31FO
Molecular Weight330.49 g/mol
Exact Mass330.24
IUPAC Name1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde
SMILESO=CC1(C2CCC(c3ccc(CCCF)cc3)CC2)CCCCC1
InChIInChI=1S/C22H31FO/c23-16-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22(17-24)14-2-1-3-15-22/h6-9,17,20-21H,1-5,10-16H2
InChIKeyKOWKDLITPCDABO-UHFFFAOYSA-N
XLogP6.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.49
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene
CID 20663512
1-cyclohexylcyclohexane-1-carbaldehyde
CID 21479214
4-(4-cyclopentylphenyl)butan-1-amine
CID 117310056
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
2-[4-(3-fluoropropyl)phenyl]-2-[4-[4-(3-oxopentyl)cyclohexyl]phenyl]acetaldehyde
CID 88668475
[1-[[(4-cyclopropylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965842
4-(4-cyclohexylphenyl)butanoic acid
CID 3041568
1-(4-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 79984608
3-[4-(3,3-dimethylcyclohexyl)phenyl]propanal
CID 117363267
3-(4-cyclobutylphenyl)-N-methylpropan-1-amine
CID 116506759
2-[4-(3-fluoropropyl)phenyl]piperidine
CID 117316921
1-[4-(4-fluorobutyl)cyclohexyl]-4-[2-[4-(4-hexylcyclohexyl)phenyl]ethyl]benzene
CID 21265220

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde (CID 139715359) is 1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde is O=CC1(C2CCC(c3ccc(CCCF)cc3)CC2)CCCCC1.
What is the InChIKey of 1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde?
The InChIKey is KOWKDLITPCDABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FO/c23-16-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22(17-24)14-2-1-3-15-22/h6-9,17,20-21H,1-5,10-16H2.
What are the key properties of 1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde?
1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde has a molecular weight of 330.49 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 139715359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).