1,1,3,3-tetrafluoro-5-methylcyclohexane

C7H10F4 — CID 148795454

IUPAC1,1,3,3-tetrafluoro-5-methylcyclohexane
SMILESCC1CC(F)(F)CC(F)(F)C1
InChIInChI=1S/C7H10F4/c1-5-2-6(8,9)4-7(10,11)3-5/h5H,2-4H2,1H3
InChIKeyOMZRJSOEHUMYHL-UHFFFAOYSA-N
MW170.15 g/mol
LogP3.08
Rot. Bonds

About 1,1,3,3-tetrafluoro-5-methylcyclohexane

1,1,3,3-tetrafluoro-5-methylcyclohexane (PubChem CID 148795454) has the molecular formula C7H10F4 and a molecular weight of 170.15 g/mol. Its IUPAC name is 1,1,3,3-tetrafluoro-5-methylcyclohexane.

Molecular Properties

Compound Name1,1,3,3-tetrafluoro-5-methylcyclohexane
PubChem CID148795454
Molecular FormulaC7H10F4
Molecular Weight170.15 g/mol
Exact Mass170.07
IUPAC Name1,1,3,3-tetrafluoro-5-methylcyclohexane
SMILESCC1CC(F)(F)CC(F)(F)C1
InChIInChI=1S/C7H10F4/c1-5-2-6(8,9)4-7(10,11)3-5/h5H,2-4H2,1H3
InChIKeyOMZRJSOEHUMYHL-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5R)-1,1-difluoro-3,3,5-trimethylcyclohexane
CID 124582887
(3S)-1,1-difluoro-3-methylcyclopentane
CID 59434161
2,6-dimethylspiro[3.3]heptane
CID 21304360
(1-fluoro-3-methylcyclobutyl)methanol
CID 176834219
3-ethyl-1,1-difluoro-5-methylcyclohexane
CID 121407308
(1S,5R)-3,3-difluoro-6-methylbicyclo[3.1.0]hexane
CID 159654618
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
1,1,3-trimethylcyclobutane
CID 12656861
1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane
CID 170740025
[(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine
CID 125470651
ethane;propane;1,1,3-trimethylcyclobutane
CID 166460974
(2S,6R)-4,4-difluoro-2,6-dimethylpiperidine
CID 170328463

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrafluoro-5-methylcyclohexane?
The IUPAC name of 1,1,3,3-tetrafluoro-5-methylcyclohexane (CID 148795454) is 1,1,3,3-tetrafluoro-5-methylcyclohexane.
What is the SMILES notation for 1,1,3,3-tetrafluoro-5-methylcyclohexane?
The canonical SMILES for 1,1,3,3-tetrafluoro-5-methylcyclohexane is CC1CC(F)(F)CC(F)(F)C1.
What is the InChIKey of 1,1,3,3-tetrafluoro-5-methylcyclohexane?
The InChIKey is OMZRJSOEHUMYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4/c1-5-2-6(8,9)4-7(10,11)3-5/h5H,2-4H2,1H3.
What are the key properties of 1,1,3,3-tetrafluoro-5-methylcyclohexane?
1,1,3,3-tetrafluoro-5-methylcyclohexane has a molecular weight of 170.15 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrafluoro-5-methylcyclohexane is sourced from PubChem (CID 148795454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).