2-(4,4-difluorocyclohexyl)-2-methoxyethanol

C9H16F2O2 — CID 155819703

IUPAC2-(4,4-difluorocyclohexyl)-2-methoxyethanol
SMILESCOC(CO)C1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2O2/c1-13-8(6-12)7-2-4-9(10,11)5-3-7/h7-8,12H,2-6H2,1H3
InChIKeyLBXAJEVMGMSMFY-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.82
Rot. Bonds3

About 2-(4,4-difluorocyclohexyl)-2-methoxyethanol

2-(4,4-difluorocyclohexyl)-2-methoxyethanol (PubChem CID 155819703) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-2-methoxyethanol.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-2-methoxyethanol
PubChem CID155819703
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name2-(4,4-difluorocyclohexyl)-2-methoxyethanol
SMILESCOC(CO)C1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2O2/c1-13-8(6-12)7-2-4-9(10,11)5-3-7/h7-8,12H,2-6H2,1H3
InChIKeyLBXAJEVMGMSMFY-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-2-methoxyethanol?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-2-methoxyethanol (CID 155819703) is 2-(4,4-difluorocyclohexyl)-2-methoxyethanol.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-2-methoxyethanol?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-2-methoxyethanol is COC(CO)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-2-methoxyethanol?
The InChIKey is LBXAJEVMGMSMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-13-8(6-12)7-2-4-9(10,11)5-3-7/h7-8,12H,2-6H2,1H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-2-methoxyethanol?
2-(4,4-difluorocyclohexyl)-2-methoxyethanol has a molecular weight of 194.22 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-2-methoxyethanol is sourced from PubChem (CID 155819703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).