7-fluoroheptan-1-amine

C7H16FN — CID 9614

IUPAC7-fluoroheptan-1-amine
SMILESNCCCCCCCF
InChIInChI=1S/C7H16FN/c8-6-4-2-1-3-5-7-9/h1-7,9H2
InChIKeyUUQQOJIPZZOPGZ-UHFFFAOYSA-N
MW133.21 g/mol
LogP1.87
Rot. Bonds6

About 7-fluoroheptan-1-amine

7-fluoroheptan-1-amine (PubChem CID 9614) has the molecular formula C7H16FN and a molecular weight of 133.21 g/mol. Its IUPAC name is 7-fluoroheptan-1-amine.

Molecular Properties

Compound Name7-fluoroheptan-1-amine
PubChem CID9614
Molecular FormulaC7H16FN
Molecular Weight133.21 g/mol
Exact Mass133.13
IUPAC Name7-fluoroheptan-1-amine
SMILESNCCCCCCCF
InChIInChI=1S/C7H16FN/c8-6-4-2-1-3-5-7-9/h1-7,9H2
InChIKeyUUQQOJIPZZOPGZ-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoroheptan-1-amine?
The IUPAC name of 7-fluoroheptan-1-amine (CID 9614) is 7-fluoroheptan-1-amine.
What is the SMILES notation for 7-fluoroheptan-1-amine?
The canonical SMILES for 7-fluoroheptan-1-amine is NCCCCCCCF.
What is the InChIKey of 7-fluoroheptan-1-amine?
The InChIKey is UUQQOJIPZZOPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN/c8-6-4-2-1-3-5-7-9/h1-7,9H2.
What are the key properties of 7-fluoroheptan-1-amine?
7-fluoroheptan-1-amine has a molecular weight of 133.21 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoroheptan-1-amine is sourced from PubChem (CID 9614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).