N-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine

C10H16F3N — CID 143385706

IUPACN-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine
SMILESCCC(C)/N=C(\C=C(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-5-8(4)14-9(6-7(2)3)10(11,12)13/h6,8H,5H2,1-4H3/b14-9+
InChIKeyVSXNTSIRSDPXBJ-NTEUORMPSA-N
MW207.24 g/mol
LogP3.75
Rot. Bonds3

About N-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine

N-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine (PubChem CID 143385706) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is N-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine.

Molecular Properties

Compound NameN-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine
PubChem CID143385706
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC NameN-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine
SMILESCCC(C)/N=C(\C=C(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-5-8(4)14-9(6-7(2)3)10(11,12)13/h6,8H,5H2,1-4H3/b14-9+
InChIKeyVSXNTSIRSDPXBJ-NTEUORMPSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Ethyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 70307572
(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole
CID 89101610
N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine
CID 91344076
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
(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
CID 123185746
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
(E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine
CID 123240234
4-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123506679
(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine
CID 123586957
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine?
The IUPAC name of N-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine (CID 143385706) is N-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine.
What is the SMILES notation for N-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine?
The canonical SMILES for N-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine is CCC(C)/N=C(\C=C(C)C)C(F)(F)F.
What is the InChIKey of N-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine?
The InChIKey is VSXNTSIRSDPXBJ-NTEUORMPSA-N. The full InChI is InChI=1S/C10H16F3N/c1-5-8(4)14-9(6-7(2)3)10(11,12)13/h6,8H,5H2,1-4H3/b14-9+.
What are the key properties of N-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine?
N-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine has a molecular weight of 207.24 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine is sourced from PubChem (CID 143385706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).