(E)-4-fluoro-N,2-dimethylbut-1-en-1-amine

C6H12FN — CID 146537502

IUPAC(E)-4-fluoro-N,2-dimethylbut-1-en-1-amine
SMILESCN/C=C(\C)CCF
InChIInChI=1S/C6H12FN/c1-6(3-4-7)5-8-2/h5,8H,3-4H2,1-2H3/b6-5+
InChIKeyIHBAOYFWDQEKHS-AATRIKPKSA-N
MW117.17 g/mol
LogP1.47
Rot. Bonds3

About (E)-4-fluoro-N,2-dimethylbut-1-en-1-amine

(E)-4-fluoro-N,2-dimethylbut-1-en-1-amine (PubChem CID 146537502) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is (E)-4-fluoro-N,2-dimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-4-fluoro-N,2-dimethylbut-1-en-1-amine
PubChem CID146537502
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name(E)-4-fluoro-N,2-dimethylbut-1-en-1-amine
SMILESCN/C=C(\C)CCF
InChIInChI=1S/C6H12FN/c1-6(3-4-7)5-8-2/h5,8H,3-4H2,1-2H3/b6-5+
InChIKeyIHBAOYFWDQEKHS-AATRIKPKSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Trifluoromethyl)isobutenylamine
CID 129809183
4-(fluoromethyl)-2,3-dihydro-1H-pyrrole
CID 89014784
(1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine
CID 130179873
(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine
CID 134257496
(E)-3,3-difluoro-N,2-dimethylprop-1-en-1-amine
CID 139563799
1-(3,3-difluorocyclobutylidene)-N-methylmethanamine
CID 141354931
(E)-N-ethyl-2-(trifluoromethyl)but-1-en-1-amine
CID 141874247
(1E,3E)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine
CID 146392502
(E)-2-fluoro-N,3,3-trimethylbut-1-en-1-amine
CID 146555738
(E)-3,3-difluoro-2-methylbut-1-en-1-amine
CID 149312346
(2Z)-2-(methylaminomethylidene)butanimidoyl fluoride
CID 153364100
(E)-2-fluoro-N-methylbut-1-en-1-amine
CID 153664579

Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-N,2-dimethylbut-1-en-1-amine?
The IUPAC name of (E)-4-fluoro-N,2-dimethylbut-1-en-1-amine (CID 146537502) is (E)-4-fluoro-N,2-dimethylbut-1-en-1-amine.
What is the SMILES notation for (E)-4-fluoro-N,2-dimethylbut-1-en-1-amine?
The canonical SMILES for (E)-4-fluoro-N,2-dimethylbut-1-en-1-amine is CN/C=C(\C)CCF.
What is the InChIKey of (E)-4-fluoro-N,2-dimethylbut-1-en-1-amine?
The InChIKey is IHBAOYFWDQEKHS-AATRIKPKSA-N. The full InChI is InChI=1S/C6H12FN/c1-6(3-4-7)5-8-2/h5,8H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-4-fluoro-N,2-dimethylbut-1-en-1-amine?
(E)-4-fluoro-N,2-dimethylbut-1-en-1-amine has a molecular weight of 117.17 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-N,2-dimethylbut-1-en-1-amine is sourced from PubChem (CID 146537502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).