4-(trifluoromethyl)cyclohexane-1,2-diimine

C7H9F3N2 — CID 163479891

IUPAC4-(trifluoromethyl)cyclohexane-1,2-diimine
SMILES[H]/N=C1\CCC(C(F)(F)F)C\C1=N/[H]
InChIInChI=1S/C7H9F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h4,11-12H,1-3H2/b11-5+,12-6+
InChIKeyCDQKXHCIQOHEAT-YDWXAUTNSA-N
MW178.16 g/mol
LogP2.39
Rot. Bonds

About 4-(trifluoromethyl)cyclohexane-1,2-diimine

4-(trifluoromethyl)cyclohexane-1,2-diimine (PubChem CID 163479891) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 4-(trifluoromethyl)cyclohexane-1,2-diimine.

Molecular Properties

Compound Name4-(trifluoromethyl)cyclohexane-1,2-diimine
PubChem CID163479891
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name4-(trifluoromethyl)cyclohexane-1,2-diimine
SMILES[H]/N=C1\CCC(C(F)(F)F)C\C1=N/[H]
InChIInChI=1S/C7H9F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h4,11-12H,1-3H2/b11-5+,12-6+
InChIKeyCDQKXHCIQOHEAT-YDWXAUTNSA-N
XLogP2.39
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-3,3-difluoro-2-methylcyclohexan-1-imine
CID 89592223
2-Imino-5-(trifluoromethyl)cyclohexane-1-thione
CID 91261817
1,1,1-Trifluoro-3-methylhexan-2-imine
CID 134468965
1-Cyclohexyl-2,2,2-trifluoroethanimine
CID 141176955
2-(Trifluoromethyl)cyclohexan-1-imine
CID 173212003
3-ethyl-4-N,5,5-trifluoroheptane-2,4-diimine
CID 175356791
2-[[4-(Trifluoromethyl)cyclohexylidene]amino]guanidine
CID 65211714
2-[[3-(Trifluoromethyl)cyclohexylidene]amino]guanidine
CID 77060125
[4-(Trifluoromethyl)cyclohexylidene]hydrazine
CID 130660809
[4-(Difluoromethyl)cyclohexylidene]hydrazine
CID 130831697
(Z)-[3-(difluoromethyl)cyclohexylidene]hydrazine
CID 133638676
(E)-[3-(trifluoromethyl)cyclohexylidene]hydrazine
CID 133683488

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)cyclohexane-1,2-diimine?
The IUPAC name of 4-(trifluoromethyl)cyclohexane-1,2-diimine (CID 163479891) is 4-(trifluoromethyl)cyclohexane-1,2-diimine.
What is the SMILES notation for 4-(trifluoromethyl)cyclohexane-1,2-diimine?
The canonical SMILES for 4-(trifluoromethyl)cyclohexane-1,2-diimine is [H]/N=C1\CCC(C(F)(F)F)C\C1=N/[H].
What is the InChIKey of 4-(trifluoromethyl)cyclohexane-1,2-diimine?
The InChIKey is CDQKXHCIQOHEAT-YDWXAUTNSA-N. The full InChI is InChI=1S/C7H9F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h4,11-12H,1-3H2/b11-5+,12-6+.
What are the key properties of 4-(trifluoromethyl)cyclohexane-1,2-diimine?
4-(trifluoromethyl)cyclohexane-1,2-diimine has a molecular weight of 178.16 g/mol, XLogP of 2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)cyclohexane-1,2-diimine is sourced from PubChem (CID 163479891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).