(3S)-N-ethenyl-3-fluoro-2-methylbutan-1-amine

C7H14FN — CID 163871775

IUPAC(3S)-N-ethenyl-3-fluoro-2-methylbutan-1-amine
SMILESC=CNCC(C)[C@H](C)F
InChIInChI=1S/C7H14FN/c1-4-9-5-6(2)7(3)8/h4,6-7,9H,1,5H2,2-3H3/t6?,7-/m0/s1
InChIKeyPLKWWEXXBKUUJV-MLWJPKLSSA-N
MW131.19 g/mol
LogP1.71
Rot. Bonds4

About (3S)-N-ethenyl-3-fluoro-2-methylbutan-1-amine

(3S)-N-ethenyl-3-fluoro-2-methylbutan-1-amine (PubChem CID 163871775) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is (3S)-N-ethenyl-3-fluoro-2-methylbutan-1-amine.

Molecular Properties

Compound Name(3S)-N-ethenyl-3-fluoro-2-methylbutan-1-amine
PubChem CID163871775
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(3S)-N-ethenyl-3-fluoro-2-methylbutan-1-amine
SMILESC=CNCC(C)[C@H](C)F
InChIInChI=1S/C7H14FN/c1-4-9-5-6(2)7(3)8/h4,6-7,9H,1,5H2,2-3H3/t6?,7-/m0/s1
InChIKeyPLKWWEXXBKUUJV-MLWJPKLSSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethenyl-3-fluoro-2-methylbutan-1-amine?
The IUPAC name of (3S)-N-ethenyl-3-fluoro-2-methylbutan-1-amine (CID 163871775) is (3S)-N-ethenyl-3-fluoro-2-methylbutan-1-amine.
What is the SMILES notation for (3S)-N-ethenyl-3-fluoro-2-methylbutan-1-amine?
The canonical SMILES for (3S)-N-ethenyl-3-fluoro-2-methylbutan-1-amine is C=CNCC(C)[C@H](C)F.
What is the InChIKey of (3S)-N-ethenyl-3-fluoro-2-methylbutan-1-amine?
The InChIKey is PLKWWEXXBKUUJV-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H14FN/c1-4-9-5-6(2)7(3)8/h4,6-7,9H,1,5H2,2-3H3/t6?,7-/m0/s1.
What are the key properties of (3S)-N-ethenyl-3-fluoro-2-methylbutan-1-amine?
(3S)-N-ethenyl-3-fluoro-2-methylbutan-1-amine has a molecular weight of 131.19 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethenyl-3-fluoro-2-methylbutan-1-amine is sourced from PubChem (CID 163871775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).