cis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane

C9H15F3 — CID 155313115

IUPACcis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane
SMILESCC1CC[C@@H](C)[C@@H](C(F)(F)F)C1
InChIInChI=1S/C9H15F3/c1-6-3-4-7(2)8(5-6)9(10,11)12/h6-8H,3-5H2,1-2H3/t6?,7-,8+/m1/s1
InChIKeyOMQDPOUUNKGWTL-VVXQKDJTSA-N
MW180.21 g/mol
LogP3.62
Rot. Bonds

About cis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane

cis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane (PubChem CID 155313115) has the molecular formula C9H15F3 and a molecular weight of 180.21 g/mol. Its IUPAC name is cis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Namecis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane
PubChem CID155313115
Molecular FormulaC9H15F3
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Namecis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane
SMILESCC1CC[C@@H](C)[C@@H](C(F)(F)F)C1
InChIInChI=1S/C9H15F3/c1-6-3-4-7(2)8(5-6)9(10,11)12/h6-8H,3-5H2,1-2H3/t6?,7-,8+/m1/s1
InChIKeyOMQDPOUUNKGWTL-VVXQKDJTSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane
CID 59912966
1-methyl-2-(trifluoromethyl)cyclopropane
CID 19768867
1-methyl-2-(trifluoromethyl)cyclohexane
CID 18711399
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424
2-(2,5-dimethylcyclohexyl)propan-2-ylbenzene
CID 154060563
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
1,2,4,7-tetramethylcyclononane
CID 123661715
2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane
CID 91483098
(1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane
CID 167287660

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane?
The IUPAC name of cis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane (CID 155313115) is cis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane.
What is the SMILES notation for cis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane?
The canonical SMILES for cis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane is CC1CC[C@@H](C)[C@@H](C(F)(F)F)C1.
What is the InChIKey of cis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane?
The InChIKey is OMQDPOUUNKGWTL-VVXQKDJTSA-N. The full InChI is InChI=1S/C9H15F3/c1-6-3-4-7(2)8(5-6)9(10,11)12/h6-8H,3-5H2,1-2H3/t6?,7-,8+/m1/s1.
What are the key properties of cis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane?
cis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane has a molecular weight of 180.21 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 155313115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).