(E)-2-fluoro-N-methylpent-2-en-3-amine

C6H12FN — CID 166810936

IUPAC(E)-2-fluoro-N-methylpent-2-en-3-amine
SMILESCC/C(NC)=C(/C)F
InChIInChI=1S/C6H12FN/c1-4-6(8-3)5(2)7/h8H,4H2,1-3H3/b6-5+
InChIKeyIHJDWBVWTIZUET-AATRIKPKSA-N
MW117.17 g/mol
LogP1.82
Rot. Bonds2

About (E)-2-fluoro-N-methylpent-2-en-3-amine

(E)-2-fluoro-N-methylpent-2-en-3-amine (PubChem CID 166810936) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is (E)-2-fluoro-N-methylpent-2-en-3-amine.

Molecular Properties

Compound Name(E)-2-fluoro-N-methylpent-2-en-3-amine
PubChem CID166810936
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name(E)-2-fluoro-N-methylpent-2-en-3-amine
SMILESCC/C(NC)=C(/C)F
InChIInChI=1S/C6H12FN/c1-4-6(8-3)5(2)7/h8H,4H2,1-3H3/b6-5+
InChIKeyIHJDWBVWTIZUET-AATRIKPKSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Fluoro-3,3,5-trimethyl-1,2-dihydropyrrole
CID 68070905
(Z)-3-fluoro-N-methylpent-2-en-2-amine
CID 89419652
(E)-N-(fluoromethyl)hex-3-en-3-amine
CID 129273358
(3Z)-4-fluoro-N-methylhexa-3,5-dien-3-amine
CID 139340911
(E)-4-fluoro-N-methylpent-2-en-2-amine
CID 142979629
(E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine
CID 146384681
(E)-N-(fluoromethyl)pent-2-en-2-amine
CID 156541908
(E)-2-fluoro-N,4-dimethylhex-3-en-3-amine
CID 164048858
(4R)-4-fluoro-N-methylpent-2-en-3-amine
CID 166850497
(E)-2,4-difluoro-N-methylhex-3-en-3-amine
CID 166983837
(Z)-4-fluoro-N-methylhex-3-en-3-amine
CID 170097041
(E)-4-fluoro-3-N,4-dimethylpent-2-ene-2,3-diamine
CID 172283266

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-N-methylpent-2-en-3-amine?
The IUPAC name of (E)-2-fluoro-N-methylpent-2-en-3-amine (CID 166810936) is (E)-2-fluoro-N-methylpent-2-en-3-amine.
What is the SMILES notation for (E)-2-fluoro-N-methylpent-2-en-3-amine?
The canonical SMILES for (E)-2-fluoro-N-methylpent-2-en-3-amine is CC/C(NC)=C(/C)F.
What is the InChIKey of (E)-2-fluoro-N-methylpent-2-en-3-amine?
The InChIKey is IHJDWBVWTIZUET-AATRIKPKSA-N. The full InChI is InChI=1S/C6H12FN/c1-4-6(8-3)5(2)7/h8H,4H2,1-3H3/b6-5+.
What are the key properties of (E)-2-fluoro-N-methylpent-2-en-3-amine?
(E)-2-fluoro-N-methylpent-2-en-3-amine has a molecular weight of 117.17 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-N-methylpent-2-en-3-amine is sourced from PubChem (CID 166810936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).