6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid

C24H41FO2 — CID 57014423

IUPAC6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid
SMILESC=C(F)C(CCCCC(=O)O)C[C@H]1CCC[C@@H]1C=CCCCCCCCC
InChIInChI=1S/C24H41FO2/c1-3-4-5-6-7-8-9-10-14-21-16-13-17-23(21)19-22(20(2)25)15-11-12-18-24(26)27/h10,14,21-23H,2-9,11-13,15-19H2,1H3,(H,26,27)/t21-,22?,23+/m0/s1
InChIKeySOLWLSCVXIFTAR-OCESARCHSA-N
MW380.59 g/mol
LogP7.84
Rot. Bonds16

About 6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid

6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid (PubChem CID 57014423) has the molecular formula C24H41FO2 and a molecular weight of 380.59 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid.

Molecular Properties

Compound Name6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid
PubChem CID57014423
Molecular FormulaC24H41FO2
Molecular Weight380.59 g/mol
Exact Mass380.31
IUPAC Name6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid
SMILESC=C(F)C(CCCCC(=O)O)C[C@H]1CCC[C@@H]1C=CCCCCCCCC
InChIInChI=1S/C24H41FO2/c1-3-4-5-6-7-8-9-10-14-21-16-13-17-23(21)19-22(20(2)25)15-11-12-18-24(26)27/h10,14,21-23H,2-9,11-13,15-19H2,1H3,(H,26,27)/t21-,22?,23+/m0/s1
InChIKeySOLWLSCVXIFTAR-OCESARCHSA-N
XLogP7.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.59
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 70513342
7-(2-oct-1-enylcyclopentyl)heptanoic acid
CID 54234183
5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 154418264
(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21145257
7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
CID 21403181
7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid
CID 57259279
4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid
CID 153363841
trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
CID 54258252
trans-(1S,2S)-1-hept-1-enyl-2-hexylcyclopentane
CID 57208153
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
CID 54565443
methyl 2-iodo-7-[(1S,2S)-2-oct-1-enylcyclopentyl]heptanoate
CID 154143928
2-[4-[(1R,2S)-2-non-1-enylcyclopentyl]butylsulfanyl]acetic acid
CID 57306372

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid?
The IUPAC name of 6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid (CID 57014423) is 6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid.
What is the SMILES notation for 6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid?
The canonical SMILES for 6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid is C=C(F)C(CCCCC(=O)O)C[C@H]1CCC[C@@H]1C=CCCCCCCCC.
What is the InChIKey of 6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid?
The InChIKey is SOLWLSCVXIFTAR-OCESARCHSA-N. The full InChI is InChI=1S/C24H41FO2/c1-3-4-5-6-7-8-9-10-14-21-16-13-17-23(21)19-22(20(2)25)15-11-12-18-24(26)27/h10,14,21-23H,2-9,11-13,15-19H2,1H3,(H,26,27)/t21-,22?,23+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid?
6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid has a molecular weight of 380.59 g/mol, XLogP of 7.84, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-dec-1-enylcyclopentyl]methyl]-7-fluorooct-7-enoic acid is sourced from PubChem (CID 57014423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).