1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane

C11H16F6 — CID 159041673

IUPAC1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane
SMILESCC1C(C)(C(F)(F)F)CCCC1(C)C(F)(F)F
InChIInChI=1S/C11H16F6/c1-7-8(2,10(12,13)14)5-4-6-9(7,3)11(15,16)17/h7H,4-6H2,1-3H3
InChIKeyVWKBUYGRFCPGRH-UHFFFAOYSA-N
MW262.24 g/mol
LogP4.94
Rot. Bonds

About 1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane

1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane (PubChem CID 159041673) has the molecular formula C11H16F6 and a molecular weight of 262.24 g/mol. Its IUPAC name is 1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane
PubChem CID159041673
Molecular FormulaC11H16F6
Molecular Weight262.24 g/mol
Exact Mass262.12
IUPAC Name1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane
SMILESCC1C(C)(C(F)(F)F)CCCC1(C)C(F)(F)F
InChIInChI=1S/C11H16F6/c1-7-8(2,10(12,13)14)5-4-6-9(7,3)11(15,16)17/h7H,4-6H2,1-3H3
InChIKeyVWKBUYGRFCPGRH-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-1-(trifluoromethyl)cyclopentane
CID 45098338
(2R)-1,2-dimethyl-3-(trifluoromethyl)bicyclo[1.1.1]pentane
CID 154974176
N-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine
CID 106523445
1-iodo-1-(trifluoromethyl)cyclobutane
CID 129099757
8,8,9-trimethylspiro[3.5]nonan-7-ol
CID 123702304
1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane
CID 158696217
7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol
CID 59331059
1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride
CID 153410019
N,2-dimethyl-1-(trifluoromethyl)cyclopentan-1-amine
CID 66205151
1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane
CID 126660417
2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine
CID 63897712
1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine
CID 121014362

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane?
The IUPAC name of 1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane (CID 159041673) is 1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane?
The canonical SMILES for 1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane is CC1C(C)(C(F)(F)F)CCCC1(C)C(F)(F)F.
What is the InChIKey of 1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane?
The InChIKey is VWKBUYGRFCPGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6/c1-7-8(2,10(12,13)14)5-4-6-9(7,3)11(15,16)17/h7H,4-6H2,1-3H3.
What are the key properties of 1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane?
1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane has a molecular weight of 262.24 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane is sourced from PubChem (CID 159041673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).