(Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine

C11H16F3N — CID 162549602

IUPAC(Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine
SMILESC/C=C(C)\C(=N\C=C(\C)CC)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-5-8(3)7-15-10(9(4)6-2)11(12,13)14/h6-7H,5H2,1-4H3/b8-7-,9-6-,15-10-
InChIKeyXBAWDSXPBBUZNU-JSWVXZFRSA-N
MW219.25 g/mol
LogP4.27
Rot. Bonds3

About (Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine

(Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine (PubChem CID 162549602) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine
PubChem CID162549602
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine
SMILESC/C=C(C)\C(=N\C=C(\C)CC)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-5-8(3)7-15-10(9(4)6-2)11(12,13)14/h6-7H,5H2,1-4H3/b8-7-,9-6-,15-10-
InChIKeyXBAWDSXPBBUZNU-JSWVXZFRSA-N
XLogP4.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 54.27
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,4-dimethylhex-3-en-2-imine
CID 123152051
(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
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
(E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine
CID 123999875
1,1,1-trifluoro-4-methyl-N-propylpent-3-en-2-imine
CID 138509578
3-methyl-7-(trifluoromethyl)-4H-azepine
CID 142851450
(E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine
CID 142927437
(3E,5E)-7,7,7-trifluoro-3,6-dimethyl-N-prop-2-enylhepta-3,5-dien-2-imine
CID 143684725
ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine
CID 144801043
ethane;(Z)-1,1,1-trifluoro-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 145149525

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine?
The IUPAC name of (Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine (CID 162549602) is (Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine?
The canonical SMILES for (Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine is C/C=C(C)\C(=N\C=C(\C)CC)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine?
The InChIKey is XBAWDSXPBBUZNU-JSWVXZFRSA-N. The full InChI is InChI=1S/C11H16F3N/c1-5-8(3)7-15-10(9(4)6-2)11(12,13)14/h6-7H,5H2,1-4H3/b8-7-,9-6-,15-10-.
What are the key properties of (Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine?
(Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine has a molecular weight of 219.25 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-3-methyl-N-[(Z)-2-methylbut-1-enyl]pent-3-en-2-imine is sourced from PubChem (CID 162549602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).