6,6,6-trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine

C10H16F3N — CID 91136503

IUPAC6,6,6-trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine
SMILES[H]/N=C/C(C=CC(C)C(F)(F)F)C(C)C
InChIInChI=1S/C10H16F3N/c1-7(2)9(6-14)5-4-8(3)10(11,12)13/h4-9,14H,1-3H3/b5-4?,14-6+
InChIKeyRAMMICRMCWNNCB-ZYHPWCBDSA-N
MW207.24 g/mol
LogP3.66
Rot. Bonds4

About 6,6,6-trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine

6,6,6-trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine (PubChem CID 91136503) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 6,6,6-trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine.

Molecular Properties

Compound Name6,6,6-trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine
PubChem CID91136503
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name6,6,6-trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine
SMILES[H]/N=C/C(C=CC(C)C(F)(F)F)C(C)C
InChIInChI=1S/C10H16F3N/c1-7(2)9(6-14)5-4-8(3)10(11,12)13/h4-9,14H,1-3H3/b5-4?,14-6+
InChIKeyRAMMICRMCWNNCB-ZYHPWCBDSA-N
XLogP3.66
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-6-fluoro-2-methylhept-3-en-1-imine
CID 88562245
(E)-6,6,6-trifluoro-5-methyl-2-propylhex-4-en-1-imine
CID 89708392
(E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine
CID 126497184
(2E)-4,5,6-trimethyl-2-(trifluoromethyl)hepta-2,5-dien-1-imine
CID 171801972
(2E)-7-methyl-2-(trifluoromethyl)octa-2,4-dien-1-imine
CID 173568444
(2E)-6-methyl-2-(trifluoromethyl)octa-2,4-dien-1-imine
CID 173568445
(E)-N,5-difluoro-2-[(E)-1-fluorobut-1-enyl]hept-4-en-1-imine
CID 173904495
(6Z)-2-ethyl-5-(trifluoromethyl)octa-4,6-dien-1-imine
CID 145644627
(Z)-3-propan-2-ylhex-4-en-1-imine
CID 118687372
2-Propan-2-ylhex-4-en-1-imine
CID 123137099
6-Methyloct-4-en-1-imine
CID 123429096
(4Z)-6,7-dimethylocta-4,7-dien-1-imine
CID 130384307

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine?
The IUPAC name of 6,6,6-trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine (CID 91136503) is 6,6,6-trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine.
What is the SMILES notation for 6,6,6-trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine?
The canonical SMILES for 6,6,6-trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine is [H]/N=C/C(C=CC(C)C(F)(F)F)C(C)C.
What is the InChIKey of 6,6,6-trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine?
The InChIKey is RAMMICRMCWNNCB-ZYHPWCBDSA-N. The full InChI is InChI=1S/C10H16F3N/c1-7(2)9(6-14)5-4-8(3)10(11,12)13/h4-9,14H,1-3H3/b5-4?,14-6+.
What are the key properties of 6,6,6-trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine?
6,6,6-trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine has a molecular weight of 207.24 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine is sourced from PubChem (CID 91136503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).