(Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine

C9H14F3N — CID 162574624

IUPAC(Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine
SMILESCC/C(C)=C\N/C=C(\C)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-4-7(2)5-13-6-8(3)9(10,11)12/h5-6,13H,4H2,1-3H3/b7-5-,8-6+
InChIKeyLQHWRWBOTYFMPH-CGXWXWIYSA-N
MW193.21 g/mol
LogP3.36
Rot. Bonds3

About (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine

(Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine (PubChem CID 162574624) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine
PubChem CID162574624
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name(Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine
SMILESCC/C(C)=C\N/C=C(\C)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-4-7(2)5-13-6-8(3)9(10,11)12/h5-6,13H,4H2,1-3H3/b7-5-,8-6+
InChIKeyLQHWRWBOTYFMPH-CGXWXWIYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Trifluoromethyl)isobutenylamine
CID 129809183
(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine
CID 134257496
(1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine
CID 138628392
(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
(E)-4-fluoro-N,2-dimethylbut-1-en-1-amine
CID 146537502
(E)-3,3-difluoro-2-methylbut-1-en-1-amine
CID 149312346
(E)-2-fluoro-N-methylbut-1-en-1-amine
CID 153664579
(Z)-4,4,4-trifluoro-2-methylbut-1-en-1-amine
CID 163791964
(E)-2-ethyl-3,3-difluorobut-1-en-1-amine
CID 167141623
(Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine
CID 170033104

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine?
The IUPAC name of (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine (CID 162574624) is (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine.
What is the SMILES notation for (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine?
The canonical SMILES for (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine is CC/C(C)=C\N/C=C(\C)C(F)(F)F.
What is the InChIKey of (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine?
The InChIKey is LQHWRWBOTYFMPH-CGXWXWIYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-4-7(2)5-13-6-8(3)9(10,11)12/h5-6,13H,4H2,1-3H3/b7-5-,8-6+.
What are the key properties of (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine?
(Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine has a molecular weight of 193.21 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-1-amine is sourced from PubChem (CID 162574624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).