6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine

C9H12F3N — CID 144801051

IUPAC6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine
SMILESC=C/C(CCC(F)(F)F)=N\C=C/C
InChIInChI=1S/C9H12F3N/c1-3-7-13-8(4-2)5-6-9(10,11)12/h3-4,7H,2,5-6H2,1H3/b7-3-,13-8+
InChIKeyTXICIHAYCPXNCS-MRKBLNLRSA-N
MW191.20 g/mol
LogP3.49
Rot. Bonds4

About 6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine

6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine (PubChem CID 144801051) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine
PubChem CID144801051
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine
SMILESC=C/C(CCC(F)(F)F)=N\C=C/C
InChIInChI=1S/C9H12F3N/c1-3-7-13-8(4-2)5-6-9(10,11)12/h3-4,7H,2,5-6H2,1H3/b7-3-,13-8+
InChIKeyTXICIHAYCPXNCS-MRKBLNLRSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.49
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

1,1,1-trifluoro-N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine
CID 88900846
3-Fluoro-2-methyl-3,4-dihydropyridine
CID 89117465
2-(Trifluoromethyl)-3,4-dihydropyridine
CID 118501196
3,3-difluoro-N-methylhex-5-en-2-imine
CID 123616438
2-(trifluoromethyl)-3H-pyrrole
CID 125357438
2-(difluoromethyl)-3H-pyrrole
CID 125363223
N-ethenyl-6,6,6-trifluorohex-1-en-3-imine
CID 134549610
ethane;N-ethenyl-1,1,1-trifluoro-3-methylbut-3-en-2-imine
CID 144349641
Ethane;2-(trifluoromethyl)-3,4-dihydropyridine
CID 144625238
ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine
CID 144801043
ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine
CID 144801050
ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 145149506

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine?
The IUPAC name of 6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine (CID 144801051) is 6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine.
What is the SMILES notation for 6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine?
The canonical SMILES for 6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine is C=C/C(CCC(F)(F)F)=N\C=C/C.
What is the InChIKey of 6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine?
The InChIKey is TXICIHAYCPXNCS-MRKBLNLRSA-N. The full InChI is InChI=1S/C9H12F3N/c1-3-7-13-8(4-2)5-6-9(10,11)12/h3-4,7H,2,5-6H2,1H3/b7-3-,13-8+.
What are the key properties of 6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine?
6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine has a molecular weight of 191.20 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine is sourced from PubChem (CID 144801051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).