ethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine

C9H16F3N — CID 176921366

IUPACethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine
SMILESC/C=C(C)\C(=N/C)C(F)(F)F.CC
InChIInChI=1S/C7H10F3N.C2H6/c1-4-5(2)6(11-3)7(8,9)10;1-2/h4H,1-3H3;1-2H3/b5-4-,11-6+;
InChIKeyZRQDIYMYGVIXCK-CMTDRSDRSA-N
MW195.23 g/mol
LogP3.61
Rot. Bonds1

About ethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine

ethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine (PubChem CID 176921366) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is ethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine.

Molecular Properties

Compound Nameethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine
PubChem CID176921366
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Nameethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine
SMILESC/C=C(C)\C(=N/C)C(F)(F)F.CC
InChIInChI=1S/C7H10F3N.C2H6/c1-4-5(2)6(11-3)7(8,9)10;1-2/h4H,1-3H3;1-2H3/b5-4-,11-6+;
InChIKeyZRQDIYMYGVIXCK-CMTDRSDRSA-N
XLogP3.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 53.61
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

(E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine
CID 89153658
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
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830
(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

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine?
The IUPAC name of ethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine (CID 176921366) is ethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine.
What is the SMILES notation for ethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine?
The canonical SMILES for ethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine is C/C=C(C)\C(=N/C)C(F)(F)F.CC.
What is the InChIKey of ethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine?
The InChIKey is ZRQDIYMYGVIXCK-CMTDRSDRSA-N. The full InChI is InChI=1S/C7H10F3N.C2H6/c1-4-5(2)6(11-3)7(8,9)10;1-2/h4H,1-3H3;1-2H3/b5-4-,11-6+;.
What are the key properties of ethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine?
ethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine has a molecular weight of 195.23 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-1,1,1-trifluoro-N,3-dimethylpent-3-en-2-imine is sourced from PubChem (CID 176921366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).