(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol

C14H25FO — CID 59878819

IUPAC(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol
SMILESCCC/C=C\CC[C@@H]1[C@@H](CC)[C@@H](F)C[C@@H]1O
InChIInChI=1S/C14H25FO/c1-3-5-6-7-8-9-12-11(4-2)13(15)10-14(12)16/h6-7,11-14,16H,3-5,8-10H2,1-2H3/b7-6-/t11-,12-,13+,14+/m1/s1
InChIKeyLIKPWEKZXPYKNZ-NKXGHWGESA-N
MW228.35 g/mol
LogP3.87
Rot. Bonds6

About (1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol

(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol (PubChem CID 59878819) has the molecular formula C14H25FO and a molecular weight of 228.35 g/mol. Its IUPAC name is (1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol
PubChem CID59878819
Molecular FormulaC14H25FO
Molecular Weight228.35 g/mol
Exact Mass228.19
IUPAC Name(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol
SMILESCCC/C=C\CC[C@@H]1[C@@H](CC)[C@@H](F)C[C@@H]1O
InChIInChI=1S/C14H25FO/c1-3-5-6-7-8-9-12-11(4-2)13(15)10-14(12)16/h6-7,11-14,16H,3-5,8-10H2,1-2H3/b7-6-/t11-,12-,13+,14+/m1/s1
InChIKeyLIKPWEKZXPYKNZ-NKXGHWGESA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

Cyclopentanol, 2-(2-hexen-1-yl)-
CID 6438069
Cyclopentanol, 2-(2-hexenyl)-
CID 118177
(E,2S)-9-[(1R,2R,3R,5R)-3-fluoro-2-[(Z)-hept-2-enyl]-5-hydroxycyclopentyl]non-8-ene-2,7-diol
CID 57814801
(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentan-1-ol
CID 59065313
(1R,2R,3R,4R)-4-fluoro-3-[(Z)-hept-2-enyl]-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]cyclopentan-1-ol
CID 59070739
[(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyphosphane
CID 59878778
[(1S,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol
CID 59878786
[(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentyl]oxyphosphane
CID 59878798
[(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentyl]methanol
CID 59878800
trans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol
CID 59878810
(3S)-3-(4-fluoro-3-hydroxyoctyl)-2-[(Z)-hept-2-enyl]-4-methylcyclopentan-1-ol
CID 59963488
(1S,2R,3R)-2-(6-fluoroheptyl)-3-[(E)-3-methoxyoct-1-enyl]cyclopentan-1-ol
CID 68135247

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol?
The IUPAC name of (1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol (CID 59878819) is (1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol.
What is the SMILES notation for (1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol?
The canonical SMILES for (1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol is CCC/C=C\CC[C@@H]1[C@@H](CC)[C@@H](F)C[C@@H]1O.
What is the InChIKey of (1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol?
The InChIKey is LIKPWEKZXPYKNZ-NKXGHWGESA-N. The full InChI is InChI=1S/C14H25FO/c1-3-5-6-7-8-9-12-11(4-2)13(15)10-14(12)16/h6-7,11-14,16H,3-5,8-10H2,1-2H3/b7-6-/t11-,12-,13+,14+/m1/s1.
What are the key properties of (1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol?
(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol has a molecular weight of 228.35 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol is sourced from PubChem (CID 59878819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).