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

C9H10F8O — CID 18710877

IUPAC2-(difluoromethoxy)-1,3-bis(trifluoromethyl)cyclohexane
SMILESFC(F)OC1C(C(F)(F)F)CCCC1C(F)(F)F
InChIInChI=1S/C9H10F8O/c10-7(11)18-6-4(8(12,13)14)2-1-3-5(6)9(15,16)17/h4-7H,1-3H2
InChIKeyNNCOBSPITBJIHW-UHFFFAOYSA-N
MW286.16 g/mol
LogP4.14
Rot. Bonds2

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

2-(difluoromethoxy)-1,3-bis(trifluoromethyl)cyclohexane (PubChem CID 18710877) has the molecular formula C9H10F8O and a molecular weight of 286.16 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,3-bis(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,3-bis(trifluoromethyl)cyclohexane
PubChem CID18710877
Molecular FormulaC9H10F8O
Molecular Weight286.16 g/mol
Exact Mass286.06
IUPAC Name2-(difluoromethoxy)-1,3-bis(trifluoromethyl)cyclohexane
SMILESFC(F)OC1C(C(F)(F)F)CCCC1C(F)(F)F
InChIInChI=1S/C9H10F8O/c10-7(11)18-6-4(8(12,13)14)2-1-3-5(6)9(15,16)17/h4-7H,1-3H2
InChIKeyNNCOBSPITBJIHW-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,3-bis(trifluoromethyl)cyclohexane?
The IUPAC name of 2-(difluoromethoxy)-1,3-bis(trifluoromethyl)cyclohexane (CID 18710877) is 2-(difluoromethoxy)-1,3-bis(trifluoromethyl)cyclohexane.
What is the SMILES notation for 2-(difluoromethoxy)-1,3-bis(trifluoromethyl)cyclohexane?
The canonical SMILES for 2-(difluoromethoxy)-1,3-bis(trifluoromethyl)cyclohexane is FC(F)OC1C(C(F)(F)F)CCCC1C(F)(F)F.
What is the InChIKey of 2-(difluoromethoxy)-1,3-bis(trifluoromethyl)cyclohexane?
The InChIKey is NNCOBSPITBJIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8O/c10-7(11)18-6-4(8(12,13)14)2-1-3-5(6)9(15,16)17/h4-7H,1-3H2.
What are the key properties of 2-(difluoromethoxy)-1,3-bis(trifluoromethyl)cyclohexane?
2-(difluoromethoxy)-1,3-bis(trifluoromethyl)cyclohexane has a molecular weight of 286.16 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,3-bis(trifluoromethyl)cyclohexane is sourced from PubChem (CID 18710877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).