1-fluoropentadecane-3,4-diol

C15H31FO2 — CID 174316140

IUPAC1-fluoropentadecane-3,4-diol
SMILESCCCCCCCCCCCC(O)C(O)CCF
InChIInChI=1S/C15H31FO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)15(18)12-13-16/h14-15,17-18H,2-13H2,1H3
InChIKeyYDYFWXZAMKCCTP-UHFFFAOYSA-N
MW262.41 g/mol
LogP3.99
Rot. Bonds13

About 1-fluoropentadecane-3,4-diol

1-fluoropentadecane-3,4-diol (PubChem CID 174316140) has the molecular formula C15H31FO2 and a molecular weight of 262.41 g/mol. Its IUPAC name is 1-fluoropentadecane-3,4-diol.

Molecular Properties

Compound Name1-fluoropentadecane-3,4-diol
PubChem CID174316140
Molecular FormulaC15H31FO2
Molecular Weight262.41 g/mol
Exact Mass262.23
IUPAC Name1-fluoropentadecane-3,4-diol
SMILESCCCCCCCCCCCC(O)C(O)CCF
InChIInChI=1S/C15H31FO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)15(18)12-13-16/h14-15,17-18H,2-13H2,1H3
InChIKeyYDYFWXZAMKCCTP-UHFFFAOYSA-N
XLogP3.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-fluoropentadecane-3,4-diol 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

nonacosane-14,15-diol
CID 91509633
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
pentadecane-4,5-diol
CID 103454846
(2R,3R)-undecane-1,2,3-triol
CID 15641124
(2S,3S)-decane-1,2,3-triol
CID 12619492
16-methylheptadecane-7,8-diol
CID 118508542
icosane-2,5,6-triol
CID 90443113
heptadecane-2,5,6-triol
CID 90443080
(2R,3S)-dodecane-2,3-diol
CID 163394646
1-fluorotridecan-2-ol
CID 139710681
(7R,8S,10S)-nonacosane-7,8,10-triol
CID 163189131
hexadecane-2,4,5-triol
CID 90443038

Frequently Asked Questions

What is the IUPAC name of 1-fluoropentadecane-3,4-diol?
The IUPAC name of 1-fluoropentadecane-3,4-diol (CID 174316140) is 1-fluoropentadecane-3,4-diol.
What is the SMILES notation for 1-fluoropentadecane-3,4-diol?
The canonical SMILES for 1-fluoropentadecane-3,4-diol is CCCCCCCCCCCC(O)C(O)CCF.
What is the InChIKey of 1-fluoropentadecane-3,4-diol?
The InChIKey is YDYFWXZAMKCCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)15(18)12-13-16/h14-15,17-18H,2-13H2,1H3.
What are the key properties of 1-fluoropentadecane-3,4-diol?
1-fluoropentadecane-3,4-diol has a molecular weight of 262.41 g/mol, XLogP of 3.99, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropentadecane-3,4-diol is sourced from PubChem (CID 174316140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).