1-fluoro-3,4-dimethoxypentadecane

C17H35FO2 — CID 174316150

IUPAC1-fluoro-3,4-dimethoxypentadecane
SMILESCCCCCCCCCCCC(OC)C(CCF)OC
InChIInChI=1S/C17H35FO2/c1-4-5-6-7-8-9-10-11-12-13-16(19-2)17(20-3)14-15-18/h16-17H,4-15H2,1-3H3
InChIKeyPWWOHIGZAMYZBC-UHFFFAOYSA-N
MW290.46 g/mol
LogP5.30
Rot. Bonds15

About 1-fluoro-3,4-dimethoxypentadecane

1-fluoro-3,4-dimethoxypentadecane (PubChem CID 174316150) has the molecular formula C17H35FO2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 1-fluoro-3,4-dimethoxypentadecane.

Molecular Properties

Compound Name1-fluoro-3,4-dimethoxypentadecane
PubChem CID174316150
Molecular FormulaC17H35FO2
Molecular Weight290.46 g/mol
Exact Mass290.26
IUPAC Name1-fluoro-3,4-dimethoxypentadecane
SMILESCCCCCCCCCCCC(OC)C(CCF)OC
InChIInChI=1S/C17H35FO2/c1-4-5-6-7-8-9-10-11-12-13-16(19-2)17(20-3)14-15-18/h16-17H,4-15H2,1-3H3
InChIKeyPWWOHIGZAMYZBC-UHFFFAOYSA-N
XLogP5.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.46
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxynonane-1,1-diol
CID 175114695
(9R,10R)-10-ethenyl-9-methoxynonadecane
CID 102492829
2-ethoxy-3-methoxynonane
CID 175129428
1,1-dimethoxytetradecane
CID 13265409
(5S)-5-methoxyundecane
CID 118889956
1-fluoropentadecane-3,4-diol
CID 174316140
3-methoxydodecan-4-ol
CID 116710713
3-hexan-2-yl-2-methoxynonan-1-amine
CID 123562307
7-(fluoromethyl)tetradecane
CID 155260324
1-methoxydodecan-1-ol
CID 19981343
1-methoxyhenicosan-1-ol
CID 138403001
1-fluoro-7-methylpentacosane
CID 88638363

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,4-dimethoxypentadecane?
The IUPAC name of 1-fluoro-3,4-dimethoxypentadecane (CID 174316150) is 1-fluoro-3,4-dimethoxypentadecane.
What is the SMILES notation for 1-fluoro-3,4-dimethoxypentadecane?
The canonical SMILES for 1-fluoro-3,4-dimethoxypentadecane is CCCCCCCCCCCC(OC)C(CCF)OC.
What is the InChIKey of 1-fluoro-3,4-dimethoxypentadecane?
The InChIKey is PWWOHIGZAMYZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35FO2/c1-4-5-6-7-8-9-10-11-12-13-16(19-2)17(20-3)14-15-18/h16-17H,4-15H2,1-3H3.
What are the key properties of 1-fluoro-3,4-dimethoxypentadecane?
1-fluoro-3,4-dimethoxypentadecane has a molecular weight of 290.46 g/mol, XLogP of 5.30, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,4-dimethoxypentadecane is sourced from PubChem (CID 174316150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).