1,4-dimethyl-1-(trifluoromethyl)cyclohexane

C9H15F3 — CID 21035999

IUPAC1,4-dimethyl-1-(trifluoromethyl)cyclohexane
SMILESCC1CCC(C)(C(F)(F)F)CC1
InChIInChI=1S/C9H15F3/c1-7-3-5-8(2,6-4-7)9(10,11)12/h7H,3-6H2,1-2H3
InChIKeyISTZJJPZYXFOLA-UHFFFAOYSA-N
MW180.21 g/mol
LogP3.77
Rot. Bonds

About 1,4-dimethyl-1-(trifluoromethyl)cyclohexane

1,4-dimethyl-1-(trifluoromethyl)cyclohexane (PubChem CID 21035999) has the molecular formula C9H15F3 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1,4-dimethyl-1-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1,4-dimethyl-1-(trifluoromethyl)cyclohexane
PubChem CID21035999
Molecular FormulaC9H15F3
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Name1,4-dimethyl-1-(trifluoromethyl)cyclohexane
SMILESCC1CCC(C)(C(F)(F)F)CC1
InChIInChI=1S/C9H15F3/c1-7-3-5-8(2,6-4-7)9(10,11)12/h7H,3-6H2,1-2H3
InChIKeyISTZJJPZYXFOLA-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-Tert-butyl-1,1-difluorocyclohexane
CID 640499
1,4-Bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane
CID 15656333
2-Fluoro-1,1-dimethylcyclohexane
CID 22156461
1,4-Bis(difluoromethyl)-1,4-bis(fluoromethyl)cyclohexane
CID 15656332
1,1,4,4-Tetrakis(difluoromethyl)cyclohexane
CID 15656330
1,1-Difluoro-2,6-dimethylcyclohexane
CID 15044196
1,1-Bis(trifluoromethyl)cyclohexane
CID 15507526
1,1,4,4-Tetrakis(trifluoromethyl)cyclohexane
CID 15656325
1-Methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane
CID 18710873
1-Methyl-3-(trifluoromethyl)cyclohexane
CID 18711400
trans-1-Methyl-4-trifluoromethyl-cyclohexane
CID 18711402
1-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)-4-methylcyclohexane
CID 20594920

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-1-(trifluoromethyl)cyclohexane?
The IUPAC name of 1,4-dimethyl-1-(trifluoromethyl)cyclohexane (CID 21035999) is 1,4-dimethyl-1-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1,4-dimethyl-1-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1,4-dimethyl-1-(trifluoromethyl)cyclohexane is CC1CCC(C)(C(F)(F)F)CC1.
What is the InChIKey of 1,4-dimethyl-1-(trifluoromethyl)cyclohexane?
The InChIKey is ISTZJJPZYXFOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3/c1-7-3-5-8(2,6-4-7)9(10,11)12/h7H,3-6H2,1-2H3.
What are the key properties of 1,4-dimethyl-1-(trifluoromethyl)cyclohexane?
1,4-dimethyl-1-(trifluoromethyl)cyclohexane has a molecular weight of 180.21 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-1-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 21035999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).