cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane

C8H13F3O — CID 162553401

IUPACcis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane
SMILESC[C@@H]1CCC[C@H](OC(F)(F)F)C1
InChIInChI=1S/C8H13F3O/c1-6-3-2-4-7(5-6)12-8(9,10)11/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyGEKHYFMZORHWRN-RQJHMYQMSA-N
MW182.18 g/mol
LogP3.10
Rot. Bonds1

About cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane

cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane (PubChem CID 162553401) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane.

Molecular Properties

Compound Namecis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane
PubChem CID162553401
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Namecis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane
SMILESC[C@@H]1CCC[C@H](OC(F)(F)F)C1
InChIInChI=1S/C8H13F3O/c1-6-3-2-4-7(5-6)12-8(9,10)11/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyGEKHYFMZORHWRN-RQJHMYQMSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-methyl-3-(trifluoromethoxy)cyclohexane
CID 89263483
trifluoromethoxycyclobutane
CID 118087158
N,2-dimethyl-2-(3-methylcyclohexyl)oxypropan-1-amine
CID 62354409
[3-(trifluoromethoxy)cyclohexyl]methanamine
CID 137347142
(2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine
CID 177313582
4-methyl-1,2-bis(trifluoromethoxy)cyclohexane
CID 20643370
(1R)-1,3-dimethylcyclohexane
CID 12594306
tert-butyl-dimethyl-(3-methylcyclohexyl)oxysilane
CID 14087160
2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine
CID 162595064
1-dimethylphosphoryloxy-3-methylcyclohexane
CID 154198926
CID 175388606
CID 175388606
triethyl-[(3S)-3-methylcyclohexyl]oxysilane
CID 142748817

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane?
The IUPAC name of cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane (CID 162553401) is cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane.
What is the SMILES notation for cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane?
The canonical SMILES for cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane is C[C@@H]1CCC[C@H](OC(F)(F)F)C1.
What is the InChIKey of cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane?
The InChIKey is GEKHYFMZORHWRN-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13F3O/c1-6-3-2-4-7(5-6)12-8(9,10)11/h6-7H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane?
cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane has a molecular weight of 182.18 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane is sourced from PubChem (CID 162553401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).