1,1,1-trifluoro-N,2,2,5-tetramethylhex-4-en-3-imine

C10H16F3N — CID 144800816

IUPAC1,1,1-trifluoro-N,2,2,5-tetramethylhex-4-en-3-imine
SMILESC/N=C(\C=C(C)C)C(C)(C)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-7(2)6-8(14-5)9(3,4)10(11,12)13/h6H,1-5H3/b14-8+
InChIKeyGRPSKYBNBSQXBR-RIYZIHGNSA-N
MW207.24 g/mol
LogP3.61
Rot. Bonds2

About 1,1,1-trifluoro-N,2,2,5-tetramethylhex-4-en-3-imine

1,1,1-trifluoro-N,2,2,5-tetramethylhex-4-en-3-imine (PubChem CID 144800816) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,2,2,5-tetramethylhex-4-en-3-imine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,2,2,5-tetramethylhex-4-en-3-imine
PubChem CID144800816
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1,1,1-trifluoro-N,2,2,5-tetramethylhex-4-en-3-imine
SMILESC/N=C(\C=C(C)C)C(C)(C)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-7(2)6-8(14-5)9(3,4)10(11,12)13/h6H,1-5H3/b14-8+
InChIKeyGRPSKYBNBSQXBR-RIYZIHGNSA-N
XLogP3.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
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

3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine
CID 70518262
(Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine
CID 88877671
(E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine
CID 89153658
6-(Difluoromethyl)-3-ethyl-5-methyl-2,3-dihydropyridine
CID 91353665
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
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
(4E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hepta-1,4-dien-3-imine
CID 123788699
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole
CID 134299333
(3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine
CID 135190182

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N,2,2,5-tetramethylhex-4-en-3-imine?
The IUPAC name of 1,1,1-trifluoro-N,2,2,5-tetramethylhex-4-en-3-imine (CID 144800816) is 1,1,1-trifluoro-N,2,2,5-tetramethylhex-4-en-3-imine.
What is the SMILES notation for 1,1,1-trifluoro-N,2,2,5-tetramethylhex-4-en-3-imine?
The canonical SMILES for 1,1,1-trifluoro-N,2,2,5-tetramethylhex-4-en-3-imine is C/N=C(\C=C(C)C)C(C)(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,2,2,5-tetramethylhex-4-en-3-imine?
The InChIKey is GRPSKYBNBSQXBR-RIYZIHGNSA-N. The full InChI is InChI=1S/C10H16F3N/c1-7(2)6-8(14-5)9(3,4)10(11,12)13/h6H,1-5H3/b14-8+.
What are the key properties of 1,1,1-trifluoro-N,2,2,5-tetramethylhex-4-en-3-imine?
1,1,1-trifluoro-N,2,2,5-tetramethylhex-4-en-3-imine has a molecular weight of 207.24 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,2,2,5-tetramethylhex-4-en-3-imine is sourced from PubChem (CID 144800816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).