4-(2-fluorophenyl)-1-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid

C24H35FO2 — CID 67676280

IUPAC4-(2-fluorophenyl)-1-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid
SMILESCCCCCC1CCC(C2(C(=O)O)CCC(c3ccccc3F)CC2)CC1
InChIInChI=1S/C24H35FO2/c1-2-3-4-7-18-10-12-20(13-11-18)24(23(26)27)16-14-19(15-17-24)21-8-5-6-9-22(21)25/h5-6,8-9,18-20H,2-4,7,10-17H2,1H3,(H,26,27)
InChIKeyDHGNZQMECMJOLA-UHFFFAOYSA-N
MW374.54 g/mol
LogP6.94
Rot. Bonds7

About 4-(2-fluorophenyl)-1-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid

4-(2-fluorophenyl)-1-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid (PubChem CID 67676280) has the molecular formula C24H35FO2 and a molecular weight of 374.54 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid
PubChem CID67676280
Molecular FormulaC24H35FO2
Molecular Weight374.54 g/mol
Exact Mass374.26
IUPAC Name4-(2-fluorophenyl)-1-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid
SMILESCCCCCC1CCC(C2(C(=O)O)CCC(c3ccccc3F)CC2)CC1
InChIInChI=1S/C24H35FO2/c1-2-3-4-7-18-10-12-20(13-11-18)24(23(26)27)16-14-19(15-17-24)21-8-5-6-9-22(21)25/h5-6,8-9,18-20H,2-4,7,10-17H2,1H3,(H,26,27)
InChIKeyDHGNZQMECMJOLA-UHFFFAOYSA-N
XLogP6.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.54
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-fluorophenyl)-1-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid (CID 67676280) is 4-(2-fluorophenyl)-1-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenyl)-1-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenyl)-1-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid is CCCCCC1CCC(C2(C(=O)O)CCC(c3ccccc3F)CC2)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-1-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid?
The InChIKey is DHGNZQMECMJOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FO2/c1-2-3-4-7-18-10-12-20(13-11-18)24(23(26)27)16-14-19(15-17-24)21-8-5-6-9-22(21)25/h5-6,8-9,18-20H,2-4,7,10-17H2,1H3,(H,26,27).
What are the key properties of 4-(2-fluorophenyl)-1-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid?
4-(2-fluorophenyl)-1-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid has a molecular weight of 374.54 g/mol, XLogP of 6.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 67676280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).