4-fluoroheptane

C7H15F — CID 21283929

IUPAC4-fluoroheptane
SMILESCCCC(F)CCC
InChIInChI=1S/C7H15F/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3
InChIKeyUZPLADUPKTWUAG-UHFFFAOYSA-N
MW118.20 g/mol
LogP2.92
Rot. Bonds4

About 4-fluoroheptane

4-fluoroheptane (PubChem CID 21283929) has the molecular formula C7H15F and a molecular weight of 118.20 g/mol. Its IUPAC name is 4-fluoroheptane.

Molecular Properties

Compound Name4-fluoroheptane
PubChem CID21283929
Molecular FormulaC7H15F
Molecular Weight118.20 g/mol
Exact Mass118.12
IUPAC Name4-fluoroheptane
SMILESCCCC(F)CCC
InChIInChI=1S/C7H15F/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3
InChIKeyUZPLADUPKTWUAG-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-fluoroheptane?
The IUPAC name of 4-fluoroheptane (CID 21283929) is 4-fluoroheptane.
What is the SMILES notation for 4-fluoroheptane?
The canonical SMILES for 4-fluoroheptane is CCCC(F)CCC.
What is the InChIKey of 4-fluoroheptane?
The InChIKey is UZPLADUPKTWUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3.
What are the key properties of 4-fluoroheptane?
4-fluoroheptane has a molecular weight of 118.20 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoroheptane is sourced from PubChem (CID 21283929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).