4-fluoro-2-methylhex-5-en-2-amine

C7H14FN — CID 126979787

IUPAC4-fluoro-2-methylhex-5-en-2-amine
SMILESC=CC(F)CC(C)(C)N
InChIInChI=1S/C7H14FN/c1-4-6(8)5-7(2,3)9/h4,6H,1,5,9H2,2-3H3
InChIKeyFRLHPPVZQYTTAC-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.64
Rot. Bonds3

About 4-fluoro-2-methylhex-5-en-2-amine

4-fluoro-2-methylhex-5-en-2-amine (PubChem CID 126979787) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 4-fluoro-2-methylhex-5-en-2-amine.

Molecular Properties

Compound Name4-fluoro-2-methylhex-5-en-2-amine
PubChem CID126979787
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name4-fluoro-2-methylhex-5-en-2-amine
SMILESC=CC(F)CC(C)(C)N
InChIInChI=1S/C7H14FN/c1-4-6(8)5-7(2,3)9/h4,6H,1,5,9H2,2-3H3
InChIKeyFRLHPPVZQYTTAC-UHFFFAOYSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylhex-5-en-2-amine?
The IUPAC name of 4-fluoro-2-methylhex-5-en-2-amine (CID 126979787) is 4-fluoro-2-methylhex-5-en-2-amine.
What is the SMILES notation for 4-fluoro-2-methylhex-5-en-2-amine?
The canonical SMILES for 4-fluoro-2-methylhex-5-en-2-amine is C=CC(F)CC(C)(C)N.
What is the InChIKey of 4-fluoro-2-methylhex-5-en-2-amine?
The InChIKey is FRLHPPVZQYTTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-4-6(8)5-7(2,3)9/h4,6H,1,5,9H2,2-3H3.
What are the key properties of 4-fluoro-2-methylhex-5-en-2-amine?
4-fluoro-2-methylhex-5-en-2-amine has a molecular weight of 131.19 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylhex-5-en-2-amine is sourced from PubChem (CID 126979787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).