(Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine

C5H8F3N — CID 163791964

IUPAC(Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine
SMILESC/C(=C/N)CC(F)(F)F
InChIInChI=1S/C5H8F3N/c1-4(3-9)2-5(6,7)8/h3H,2,9H2,1H3/b4-3-
InChIKeyMXODMORHSREDFN-ARJAWSKDSA-N
MW139.12 g/mol
LogP1.80
Rot. Bonds1

About (Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine

(Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine (PubChem CID 163791964) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine
PubChem CID163791964
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name(Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine
SMILESC/C(=C/N)CC(F)(F)F
InChIInChI=1S/C5H8F3N/c1-4(3-9)2-5(6,7)8/h3H,2,9H2,1H3/b4-3-
InChIKeyMXODMORHSREDFN-ARJAWSKDSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Trifluoromethyl)isobutenylamine
CID 129809183
(E)-3,3,3-trifluoro-2-methylprop-1-en-1-amine
CID 88441129
(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
(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
(1E)-2-(trifluoromethyl)buta-1,3-dien-1-amine
CID 146430986
(E)-4-fluoro-N,2-dimethylbut-1-en-1-amine
CID 146537502
(E)-3,3-difluoro-2-methylbut-1-en-1-amine
CID 149312346
(Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine
CID 162574624
2,2-Difluoro-3-methylbut-3-en-1-amine
CID 164033783

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine?
The IUPAC name of (Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine (CID 163791964) is (Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine is C/C(=C/N)CC(F)(F)F.
What is the InChIKey of (Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine?
The InChIKey is MXODMORHSREDFN-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H8F3N/c1-4(3-9)2-5(6,7)8/h3H,2,9H2,1H3/b4-3-.
What are the key properties of (Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine?
(Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine has a molecular weight of 139.12 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine is sourced from PubChem (CID 163791964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).