(Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine

C9H14F3N — CID 144611117

IUPAC(Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine
SMILESC/C=C\C(=N/CCCC)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-3-5-7-13-8(6-4-2)9(10,11)12/h4,6H,3,5,7H2,1-2H3/b6-4-,13-8+
InChIKeyZJDPACOMMNXXOC-RUMQPUKBSA-N
MW193.21 g/mol
LogP3.37
Rot. Bonds4

About (Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine

(Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine (PubChem CID 144611117) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is (Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine
PubChem CID144611117
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name(Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine
SMILESC/C=C\C(=N/CCCC)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-3-5-7-13-8(6-4-2)9(10,11)12/h4,6H,3,5,7H2,1-2H3/b6-4-,13-8+
InChIKeyZJDPACOMMNXXOC-RUMQPUKBSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(trifluoromethyl)-2H-pyrrole
CID 58924994
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CID 67489736
4-Ethyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 70307572
3-Fluoro-6-methyl-2,3-dihydropyridine
CID 89932263
(Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine
CID 91208998
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
CID 123185746
(Z)-N-(trifluoromethyl)hex-4-en-3-imine
CID 123213688
4-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123506679

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine?
The IUPAC name of (Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine (CID 144611117) is (Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine.
What is the SMILES notation for (Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine?
The canonical SMILES for (Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine is C/C=C\C(=N/CCCC)C(F)(F)F.
What is the InChIKey of (Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine?
The InChIKey is ZJDPACOMMNXXOC-RUMQPUKBSA-N. The full InChI is InChI=1S/C9H14F3N/c1-3-5-7-13-8(6-4-2)9(10,11)12/h4,6H,3,5,7H2,1-2H3/b6-4-,13-8+.
What are the key properties of (Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine?
(Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine has a molecular weight of 193.21 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine is sourced from PubChem (CID 144611117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).