4-fluoro-N-prop-2-enylpentan-1-amine

C8H16FN — CID 148699548

IUPAC4-fluoro-N-prop-2-enylpentan-1-amine
SMILESC=CCNCCCC(C)F
InChIInChI=1S/C8H16FN/c1-3-6-10-7-4-5-8(2)9/h3,8,10H,1,4-7H2,2H3
InChIKeyNVCDBPZTGWDDMG-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.90
Rot. Bonds6

About 4-fluoro-N-prop-2-enylpentan-1-amine

4-fluoro-N-prop-2-enylpentan-1-amine (PubChem CID 148699548) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 4-fluoro-N-prop-2-enylpentan-1-amine.

Molecular Properties

Compound Name4-fluoro-N-prop-2-enylpentan-1-amine
PubChem CID148699548
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name4-fluoro-N-prop-2-enylpentan-1-amine
SMILESC=CCNCCCC(C)F
InChIInChI=1S/C8H16FN/c1-3-6-10-7-4-5-8(2)9/h3,8,10H,1,4-7H2,2H3
InChIKeyNVCDBPZTGWDDMG-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-prop-2-enylpentan-1-amine?
The IUPAC name of 4-fluoro-N-prop-2-enylpentan-1-amine (CID 148699548) is 4-fluoro-N-prop-2-enylpentan-1-amine.
What is the SMILES notation for 4-fluoro-N-prop-2-enylpentan-1-amine?
The canonical SMILES for 4-fluoro-N-prop-2-enylpentan-1-amine is C=CCNCCCC(C)F.
What is the InChIKey of 4-fluoro-N-prop-2-enylpentan-1-amine?
The InChIKey is NVCDBPZTGWDDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-3-6-10-7-4-5-8(2)9/h3,8,10H,1,4-7H2,2H3.
What are the key properties of 4-fluoro-N-prop-2-enylpentan-1-amine?
4-fluoro-N-prop-2-enylpentan-1-amine has a molecular weight of 145.22 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-prop-2-enylpentan-1-amine is sourced from PubChem (CID 148699548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).