1-fluoroheptatriacontane

C37H75F — CID 54496561

IUPAC1-fluoroheptatriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCF
InChIInChI=1S/C37H75F/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38/h2-37H2,1H3
InChIKeyMKFKTCHUOKLRQG-UHFFFAOYSA-N
MW539.01 g/mol
LogP14.63
Rot. Bonds35

About 1-fluoroheptatriacontane

1-fluoroheptatriacontane (PubChem CID 54496561) has the molecular formula C37H75F and a molecular weight of 539.01 g/mol. Its IUPAC name is 1-fluoroheptatriacontane.

Molecular Properties

Compound Name1-fluoroheptatriacontane
PubChem CID54496561
Molecular FormulaC37H75F
Molecular Weight539.01 g/mol
Exact Mass538.59
IUPAC Name1-fluoroheptatriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCF
InChIInChI=1S/C37H75F/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38/h2-37H2,1H3
InChIKeyMKFKTCHUOKLRQG-UHFFFAOYSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds35
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.01
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluorododecane;hexane
CID 174651345
azane;1-fluorododecane
CID 175529210
1-fluoropentane;methane
CID 160548083
1-fluoropentane;hydrofluoride
CID 159001340
boric acid;1-fluorooctane
CID 174838883
1-fluoropentane;tetrafluoromethane
CID 175069152
ethane;1-fluorohexane;hexylazanium
CID 145193616
1-(4-fluorobutylsulfanyl)undecane
CID 54210142
1-fluoro-7-methylpentacosane
CID 88638363
ethane;1-fluoro-15-pentoxypentadecane
CID 145255757
1-fluorotetradecane;2-methylpentane
CID 175589258
azane;1-fluorobutane
CID 172690473

Frequently Asked Questions

What is the IUPAC name of 1-fluoroheptatriacontane?
The IUPAC name of 1-fluoroheptatriacontane (CID 54496561) is 1-fluoroheptatriacontane.
What is the SMILES notation for 1-fluoroheptatriacontane?
The canonical SMILES for 1-fluoroheptatriacontane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCF.
What is the InChIKey of 1-fluoroheptatriacontane?
The InChIKey is MKFKTCHUOKLRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H75F/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38/h2-37H2,1H3.
What are the key properties of 1-fluoroheptatriacontane?
1-fluoroheptatriacontane has a molecular weight of 539.01 g/mol, XLogP of 14.63, 35 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroheptatriacontane is sourced from PubChem (CID 54496561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).