5-fluoro-N-methylhex-5-en-2-amine

C7H14FN — CID 123972978

IUPAC5-fluoro-N-methylhex-5-en-2-amine
SMILESC=C(F)CCC(C)NC
InChIInChI=1S/C7H14FN/c1-6(8)4-5-7(2)9-3/h7,9H,1,4-5H2,2-3H3
InChIKeyKJTYRRILJRKWQN-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.86
Rot. Bonds4

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

5-fluoro-N-methylhex-5-en-2-amine (PubChem CID 123972978) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 5-fluoro-N-methylhex-5-en-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methylhex-5-en-2-amine
PubChem CID123972978
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name5-fluoro-N-methylhex-5-en-2-amine
SMILESC=C(F)CCC(C)NC
InChIInChI=1S/C7H14FN/c1-6(8)4-5-7(2)9-3/h7,9H,1,4-5H2,2-3H3
InChIKeyKJTYRRILJRKWQN-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methylhex-5-en-2-amine?
The IUPAC name of 5-fluoro-N-methylhex-5-en-2-amine (CID 123972978) is 5-fluoro-N-methylhex-5-en-2-amine.
What is the SMILES notation for 5-fluoro-N-methylhex-5-en-2-amine?
The canonical SMILES for 5-fluoro-N-methylhex-5-en-2-amine is C=C(F)CCC(C)NC.
What is the InChIKey of 5-fluoro-N-methylhex-5-en-2-amine?
The InChIKey is KJTYRRILJRKWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-6(8)4-5-7(2)9-3/h7,9H,1,4-5H2,2-3H3.
What are the key properties of 5-fluoro-N-methylhex-5-en-2-amine?
5-fluoro-N-methylhex-5-en-2-amine has a molecular weight of 131.19 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methylhex-5-en-2-amine is sourced from PubChem (CID 123972978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).