3-ethyl-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol

C14H25FO — CID 22951128

IUPAC3-ethyl-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol
SMILESCCCC/C=C/CC1C(O)CC(F)C1CC
InChIInChI=1S/C14H25FO/c1-3-5-6-7-8-9-12-11(4-2)13(15)10-14(12)16/h7-8,11-14,16H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyZXTQPVLFWAKDPX-BQYQJAHWSA-N
MW228.35 g/mol
LogP3.87
Rot. Bonds6

About 3-ethyl-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol

3-ethyl-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol (PubChem CID 22951128) has the molecular formula C14H25FO and a molecular weight of 228.35 g/mol. Its IUPAC name is 3-ethyl-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-ethyl-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol
PubChem CID22951128
Molecular FormulaC14H25FO
Molecular Weight228.35 g/mol
Exact Mass228.19
IUPAC Name3-ethyl-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol
SMILESCCCC/C=C/CC1C(O)CC(F)C1CC
InChIInChI=1S/C14H25FO/c1-3-5-6-7-8-9-12-11(4-2)13(15)10-14(12)16/h7-8,11-14,16H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyZXTQPVLFWAKDPX-BQYQJAHWSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol?
The IUPAC name of 3-ethyl-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol (CID 22951128) is 3-ethyl-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol.
What is the SMILES notation for 3-ethyl-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol?
The canonical SMILES for 3-ethyl-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol is CCCC/C=C/CC1C(O)CC(F)C1CC.
What is the InChIKey of 3-ethyl-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol?
The InChIKey is ZXTQPVLFWAKDPX-BQYQJAHWSA-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/h7-8,11-14,16H,3-6,9-10H2,1-2H3/b8-7+.
What are the key properties of 3-ethyl-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol?
3-ethyl-4-fluoro-2-[(E)-hept-2-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 3-ethyl-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol is sourced from PubChem (CID 22951128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).