1,1-bis(trifluoromethyl)cyclohexane

C8H10F6 — CID 15507526

IUPAC1,1-bis(trifluoromethyl)cyclohexane
SMILESFC(F)(F)C1(C(F)(F)F)CCCCC1
InChIInChI=1S/C8H10F6/c9-7(10,11)6(8(12,13)14)4-2-1-3-5-6/h1-5H2
InChIKeySGJDSXRTGWZIMH-UHFFFAOYSA-N
MW220.16 g/mol
LogP4.06
Rot. Bonds

About 1,1-bis(trifluoromethyl)cyclohexane

1,1-bis(trifluoromethyl)cyclohexane (PubChem CID 15507526) has the molecular formula C8H10F6 and a molecular weight of 220.16 g/mol. Its IUPAC name is 1,1-bis(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1,1-bis(trifluoromethyl)cyclohexane
PubChem CID15507526
Molecular FormulaC8H10F6
Molecular Weight220.16 g/mol
Exact Mass220.07
IUPAC Name1,1-bis(trifluoromethyl)cyclohexane
SMILESFC(F)(F)C1(C(F)(F)F)CCCCC1
InChIInChI=1S/C8H10F6/c9-7(10,11)6(8(12,13)14)4-2-1-3-5-6/h1-5H2
InChIKeySGJDSXRTGWZIMH-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(trifluoromethyl)cyclohexane?
The IUPAC name of 1,1-bis(trifluoromethyl)cyclohexane (CID 15507526) is 1,1-bis(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1,1-bis(trifluoromethyl)cyclohexane?
The canonical SMILES for 1,1-bis(trifluoromethyl)cyclohexane is FC(F)(F)C1(C(F)(F)F)CCCCC1.
What is the InChIKey of 1,1-bis(trifluoromethyl)cyclohexane?
The InChIKey is SGJDSXRTGWZIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6/c9-7(10,11)6(8(12,13)14)4-2-1-3-5-6/h1-5H2.
What are the key properties of 1,1-bis(trifluoromethyl)cyclohexane?
1,1-bis(trifluoromethyl)cyclohexane has a molecular weight of 220.16 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(trifluoromethyl)cyclohexane is sourced from PubChem (CID 15507526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).