(2S)-N-(2-fluoroethyl)-N-methylbut-3-en-2-amine

C7H14FN — CID 166774453

IUPAC(2S)-N-(2-fluoroethyl)-N-methylbut-3-en-2-amine
SMILESC=C[C@H](C)N(C)CCF
InChIInChI=1S/C7H14FN/c1-4-7(2)9(3)6-5-8/h4,7H,1,5-6H2,2-3H3/t7-/m0/s1
InChIKeyUIIJBVOIBXOMLU-ZETCQYMHSA-N
MW131.19 g/mol
LogP1.46
Rot. Bonds4

About (2S)-N-(2-fluoroethyl)-N-methylbut-3-en-2-amine

(2S)-N-(2-fluoroethyl)-N-methylbut-3-en-2-amine (PubChem CID 166774453) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is (2S)-N-(2-fluoroethyl)-N-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(2S)-N-(2-fluoroethyl)-N-methylbut-3-en-2-amine
PubChem CID166774453
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(2S)-N-(2-fluoroethyl)-N-methylbut-3-en-2-amine
SMILESC=C[C@H](C)N(C)CCF
InChIInChI=1S/C7H14FN/c1-4-7(2)9(3)6-5-8/h4,7H,1,5-6H2,2-3H3/t7-/m0/s1
InChIKeyUIIJBVOIBXOMLU-ZETCQYMHSA-N
XLogP1.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Buten-2-amine, N,N-diethyl-
CID 574395
N,N-dimethylbuten-3-ylamine
CID 13459667
N-(2-fluoroethyl)-N-methylprop-2-en-1-amine
CID 131108623
(6R)-3-fluoro-1,6-dimethyl-3,6-dihydro-2H-pyridine
CID 132066957
(2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine
CID 134269934
4-Fluoro-1,2-dimethyl-2,5-dihydropyrrole
CID 139314201
(2S)-1,1,1-trifluoro-N-methyl-N-prop-2-enylpropan-2-amine
CID 144070142
(2S)-3-fluoro-N-methyl-N-prop-2-enylbutan-2-amine
CID 173903845
N-(2-fluoroethyl)-N-methylbut-3-en-1-amine
CID 130621814
(E)-N,N-diethyl-3-fluoroprop-2-en-1-amine
CID 143424278
N,N-diethylpenta-1,4-dien-3-amine
CID 9793799
But-3-en-2-yl(triethyl)azanium
CID 12981484

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluoroethyl)-N-methylbut-3-en-2-amine?
The IUPAC name of (2S)-N-(2-fluoroethyl)-N-methylbut-3-en-2-amine (CID 166774453) is (2S)-N-(2-fluoroethyl)-N-methylbut-3-en-2-amine.
What is the SMILES notation for (2S)-N-(2-fluoroethyl)-N-methylbut-3-en-2-amine?
The canonical SMILES for (2S)-N-(2-fluoroethyl)-N-methylbut-3-en-2-amine is C=C[C@H](C)N(C)CCF.
What is the InChIKey of (2S)-N-(2-fluoroethyl)-N-methylbut-3-en-2-amine?
The InChIKey is UIIJBVOIBXOMLU-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14FN/c1-4-7(2)9(3)6-5-8/h4,7H,1,5-6H2,2-3H3/t7-/m0/s1.
What are the key properties of (2S)-N-(2-fluoroethyl)-N-methylbut-3-en-2-amine?
(2S)-N-(2-fluoroethyl)-N-methylbut-3-en-2-amine has a molecular weight of 131.19 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluoroethyl)-N-methylbut-3-en-2-amine is sourced from PubChem (CID 166774453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).