1-fluoroheptane

C7H15F — CID 12619

IUPAC1-fluoroheptane
SMILESCCCCCCCF
InChIInChI=1S/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKeyBITLXSQYFZTQGC-UHFFFAOYSA-N
MW118.20 g/mol
LogP2.93
Rot. Bonds5

About 1-fluoroheptane

1-fluoroheptane (PubChem CID 12619) has the molecular formula C7H15F and a molecular weight of 118.20 g/mol. Its IUPAC name is 1-fluoroheptane.

Molecular Properties

Compound Name1-fluoroheptane
PubChem CID12619
Molecular FormulaC7H15F
Molecular Weight118.20 g/mol
Exact Mass118.12
IUPAC Name1-fluoroheptane
SMILESCCCCCCCF
InChIInChI=1S/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKeyBITLXSQYFZTQGC-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 52.93
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-Fluorohexane
CID 9760
1-Fluoropentane
CID 11603
Hydrofluoric acid, reaction products with hexane
CID 88612718
3-Fluoropentane
CID 19428854
1,1-Difluoroheptane
CID 9849
2-Fluoropentane
CID 13299938
2-Fluorohexane
CID 13620130
3-Fluorohexane
CID 13620131
Heptane, 1,7-difluoro-
CID 12739
1,1,1-Trifluoroheptane
CID 11829656
1-Heptyl radical
CID 137902
5-Difluoroheptane
CID 15062438

Frequently Asked Questions

What is the IUPAC name of 1-fluoroheptane?
The IUPAC name of 1-fluoroheptane (CID 12619) is 1-fluoroheptane.
What is the SMILES notation for 1-fluoroheptane?
The canonical SMILES for 1-fluoroheptane is CCCCCCCF.
What is the InChIKey of 1-fluoroheptane?
The InChIKey is BITLXSQYFZTQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3.
What are the key properties of 1-fluoroheptane?
1-fluoroheptane has a molecular weight of 118.20 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroheptane is sourced from PubChem (CID 12619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).