(4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene

C9H14F2O — CID 130216430

IUPAC(4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene
SMILESC[C@H]1CC=C(OC(C)(F)F)CC1
InChIInChI=1S/C9H14F2O/c1-7-3-5-8(6-4-7)12-9(2,10)11/h5,7H,3-4,6H2,1-2H3/t7-/m0/s1
InChIKeyXCEZERLTPXNCAJ-ZETCQYMHSA-N
MW176.21 g/mol
LogP3.32
Rot. Bonds2

About (4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene

(4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene (PubChem CID 130216430) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is (4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene.

Molecular Properties

Compound Name(4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene
PubChem CID130216430
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene
SMILESC[C@H]1CC=C(OC(C)(F)F)CC1
InChIInChI=1S/C9H14F2O/c1-7-3-5-8(6-4-7)12-9(2,10)11/h5,7H,3-4,6H2,1-2H3/t7-/m0/s1
InChIKeyXCEZERLTPXNCAJ-ZETCQYMHSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene?
The IUPAC name of (4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene (CID 130216430) is (4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene.
What is the SMILES notation for (4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene?
The canonical SMILES for (4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene is C[C@H]1CC=C(OC(C)(F)F)CC1.
What is the InChIKey of (4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene?
The InChIKey is XCEZERLTPXNCAJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14F2O/c1-7-3-5-8(6-4-7)12-9(2,10)11/h5,7H,3-4,6H2,1-2H3/t7-/m0/s1.
What are the key properties of (4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene?
(4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene has a molecular weight of 176.21 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(1,1-difluoroethoxy)-4-methylcyclohexene is sourced from PubChem (CID 130216430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).