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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Related Compounds

2-Cyclohexyl-2-methoxyethan-1-ol
CID 105431045
4,4-Difluoro-1-(methoxymethyl)cyclohexan-1-ol
CID 155821926
(4,4-Difluoro-1-methoxycyclohexyl)methanol
CID 155822587
2-(3,3-Difluorocyclopentyl)-2-methoxyethan-1-ol
CID 165999722
1,1,1-Trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol
CID 102048642
Cyclohexaneethanol, alpha-ethyl-2-hydroxy-
CID 144408
3,3,4,4,5,5,6,6,7,7-Decafluorooctan-2-ol;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol
CID 17944218
(1S)-1-(4,4-difluorocyclohexyl)-2-methylpropan-1-ol
CID 57580303
(1R)-1-(4,4-difluorocyclohexyl)-2-methylpropan-1-ol
CID 57580352
2-[(1-Cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol
CID 58952845
1-(2-Cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol
CID 58969670
4-Cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol
CID 59752404

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).