acetic acid;2-fluorotetradec-11-en-1-ol

C16H31FO3 — CID 71350090

IUPACacetic acid;2-fluorotetradec-11-en-1-ol
SMILESCC(=O)O.CCC=CCCCCCCCCC(F)CO
InChIInChI=1S/C14H27FO.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(15)13-16;1-2(3)4/h3-4,14,16H,2,5-13H2,1H3;1H3,(H,3,4)
InChIKeyKHZGQZLFSIWGTL-UHFFFAOYSA-N
MW290.42 g/mol
LogP4.49
Rot. Bonds11

About acetic acid;2-fluorotetradec-11-en-1-ol

acetic acid;2-fluorotetradec-11-en-1-ol (PubChem CID 71350090) has the molecular formula C16H31FO3 and a molecular weight of 290.42 g/mol. Its IUPAC name is acetic acid;2-fluorotetradec-11-en-1-ol.

Molecular Properties

Compound Nameacetic acid;2-fluorotetradec-11-en-1-ol
PubChem CID71350090
Molecular FormulaC16H31FO3
Molecular Weight290.42 g/mol
Exact Mass290.23
IUPAC Nameacetic acid;2-fluorotetradec-11-en-1-ol
SMILESCC(=O)O.CCC=CCCCCCCCCC(F)CO
InChIInChI=1S/C14H27FO.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(15)13-16;1-2(3)4/h3-4,14,16H,2,5-13H2,1H3;1H3,(H,3,4)
InChIKeyKHZGQZLFSIWGTL-UHFFFAOYSA-N
XLogP4.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;(Z)-dec-3-ene
CID 174912778
(Z,2R)-2-fluorodec-7-enal
CID 134894209
icosa-2,17-dienoic acid
CID 173056389
undeca-2,8-dienoic acid
CID 86068100
[(2R)-tridec-10-en-2-yl] acetate
CID 173369884
(2R)-2-fluorodecan-1-ol
CID 54309655
2-fluorononan-1-ol
CID 15918975
acetic acid;(E)-tetradec-7-ene
CID 174697247
2-methyloctadeca-9,12,15-trien-1-ol
CID 91232731
(9E,12E,15E)-2-ethyloctadeca-9,12,15-trienoic acid
CID 22321183
icosa-4,11,17-trienoic acid
CID 159256769
(E)-undec-8-en-2-ol
CID 118316981

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-fluorotetradec-11-en-1-ol?
The IUPAC name of acetic acid;2-fluorotetradec-11-en-1-ol (CID 71350090) is acetic acid;2-fluorotetradec-11-en-1-ol.
What is the SMILES notation for acetic acid;2-fluorotetradec-11-en-1-ol?
The canonical SMILES for acetic acid;2-fluorotetradec-11-en-1-ol is CC(=O)O.CCC=CCCCCCCCCC(F)CO.
What is the InChIKey of acetic acid;2-fluorotetradec-11-en-1-ol?
The InChIKey is KHZGQZLFSIWGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FO.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(15)13-16;1-2(3)4/h3-4,14,16H,2,5-13H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-fluorotetradec-11-en-1-ol?
acetic acid;2-fluorotetradec-11-en-1-ol has a molecular weight of 290.42 g/mol, XLogP of 4.49, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-fluorotetradec-11-en-1-ol is sourced from PubChem (CID 71350090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).