N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine

C10H14F3N — CID 176967354

IUPACN-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine
SMILESC=C/C=N/C(C)=C(\CCC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-6-9(10(11,12)13)8(3)14-7-5-2/h5,7H,2,4,6H2,1,3H3/b9-8+,14-7+
InChIKeyNMPQGCKZYWYLPF-LVUXXWOXSA-N
MW205.22 g/mol
LogP3.88
Rot. Bonds4

About N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine

N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine (PubChem CID 176967354) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine
PubChem CID176967354
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC NameN-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine
SMILESC=C/C=N/C(C)=C(\CCC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-6-9(10(11,12)13)8(3)14-7-5-2/h5,7H,2,4,6H2,1,3H3/b9-8+,14-7+
InChIKeyNMPQGCKZYWYLPF-LVUXXWOXSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.88
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

3,7-dimethyl-2-(trifluoromethyl)-4H-azepine
CID 134915987
(Z)-2-ethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-en-1-imine
CID 89210806
(2Z,3Z)-2-(1-fluoroethylidene)-3-(3-fluoropropylidene)pyridine
CID 89255552
N,3-dimethyl-4-methylidene-6-(trifluoromethyl)octa-2,5,7-trien-1-imine
CID 90705158
7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 90705914
N-(2-fluoro-4-methylpent-2-en-3-yl)prop-2-en-1-imine
CID 91152307
N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
N-[(E)-1,1-difluoro-3-methylpent-2-en-2-yl]prop-2-en-1-imine
CID 117825719
(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine
CID 123586957
3-ethyl-2-methyl-5-(trifluoromethyl)-4H-azepine
CID 123620995
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
(2E,6E)-3-methyl-6-(trifluoromethyl)-4,5-dihydroazocine
CID 130243053

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine?
The IUPAC name of N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine (CID 176967354) is N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine.
What is the SMILES notation for N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine?
The canonical SMILES for N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine is C=C/C=N/C(C)=C(\CCC)C(F)(F)F.
What is the InChIKey of N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine?
The InChIKey is NMPQGCKZYWYLPF-LVUXXWOXSA-N. The full InChI is InChI=1S/C10H14F3N/c1-4-6-9(10(11,12)13)8(3)14-7-5-2/h5,7H,2,4,6H2,1,3H3/b9-8+,14-7+.
What are the key properties of N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine?
N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine has a molecular weight of 205.22 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine is sourced from PubChem (CID 176967354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).