1,1,2-trifluoro-2,3,5-trimethylcyclohexane

C9H15F3 — CID 161062506

IUPAC1,1,2-trifluoro-2,3,5-trimethylcyclohexane
SMILESCC1CC(C)C(C)(F)C(F)(F)C1
InChIInChI=1S/C9H15F3/c1-6-4-7(2)8(3,10)9(11,12)5-6/h6-7H,4-5H2,1-3H3
InChIKeySQFHFTDBVBCONX-UHFFFAOYSA-N
MW180.21 g/mol
LogP3.42
Rot. Bonds

About 1,1,2-trifluoro-2,3,5-trimethylcyclohexane

1,1,2-trifluoro-2,3,5-trimethylcyclohexane (PubChem CID 161062506) has the molecular formula C9H15F3 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1,1,2-trifluoro-2,3,5-trimethylcyclohexane.

Molecular Properties

Compound Name1,1,2-trifluoro-2,3,5-trimethylcyclohexane
PubChem CID161062506
Molecular FormulaC9H15F3
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Name1,1,2-trifluoro-2,3,5-trimethylcyclohexane
SMILESCC1CC(C)C(C)(F)C(F)(F)C1
InChIInChI=1S/C9H15F3/c1-6-4-7(2)8(3,10)9(11,12)5-6/h6-7H,4-5H2,1-3H3
InChIKeySQFHFTDBVBCONX-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane
CID 6427704
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
1,1-difluoro-2,4,6-trimethylcyclohexane
CID 161062505
1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane
CID 87307695
1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane
CID 170122585
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
(3S,5R)-1,3,5,7,9,11-hexamethylbicyclo[5.5.1]tridecane
CID 59096410
7-methyltricyclo[3.3.0.01,4]octane
CID 148884206
3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene
CID 58957734
1,3,5-trimethylcyclohexan-1-amine;hydrochloride
CID 18783158
(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
CID 58944578
CID 58818162
CID 58818162

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-2,3,5-trimethylcyclohexane?
The IUPAC name of 1,1,2-trifluoro-2,3,5-trimethylcyclohexane (CID 161062506) is 1,1,2-trifluoro-2,3,5-trimethylcyclohexane.
What is the SMILES notation for 1,1,2-trifluoro-2,3,5-trimethylcyclohexane?
The canonical SMILES for 1,1,2-trifluoro-2,3,5-trimethylcyclohexane is CC1CC(C)C(C)(F)C(F)(F)C1.
What is the InChIKey of 1,1,2-trifluoro-2,3,5-trimethylcyclohexane?
The InChIKey is SQFHFTDBVBCONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3/c1-6-4-7(2)8(3,10)9(11,12)5-6/h6-7H,4-5H2,1-3H3.
What are the key properties of 1,1,2-trifluoro-2,3,5-trimethylcyclohexane?
1,1,2-trifluoro-2,3,5-trimethylcyclohexane has a molecular weight of 180.21 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-2,3,5-trimethylcyclohexane is sourced from PubChem (CID 161062506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).