(1-ethoxy-2,3-difluorocyclohexyl)methanol

C9H16F2O2 — CID 66961952

IUPAC(1-ethoxy-2,3-difluorocyclohexyl)methanol
SMILESCCOC1(CO)CCCC(F)C1F
InChIInChI=1S/C9H16F2O2/c1-2-13-9(6-12)5-3-4-7(10)8(9)11/h7-8,12H,2-6H2,1H3
InChIKeyQUQQKSLDJJJXDG-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.61
Rot. Bonds3

About (1-ethoxy-2,3-difluorocyclohexyl)methanol

(1-ethoxy-2,3-difluorocyclohexyl)methanol (PubChem CID 66961952) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is (1-ethoxy-2,3-difluorocyclohexyl)methanol.

Molecular Properties

Compound Name(1-ethoxy-2,3-difluorocyclohexyl)methanol
PubChem CID66961952
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name(1-ethoxy-2,3-difluorocyclohexyl)methanol
SMILESCCOC1(CO)CCCC(F)C1F
InChIInChI=1S/C9H16F2O2/c1-2-13-9(6-12)5-3-4-7(10)8(9)11/h7-8,12H,2-6H2,1H3
InChIKeyQUQQKSLDJJJXDG-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Methoxycyclohexyl)methanol
CID 21895925
2-(4,4-Difluorocyclohexyl)-2-methoxyethan-1-ol
CID 155819703
4,4-Difluoro-1-(methoxymethyl)cyclohexan-1-ol
CID 155821926
(4,4-Difluoro-1-methoxycyclohexyl)methanol
CID 155822587
1-(Methoxymethyl)cyclohexan-1-ol
CID 12552140
cis-(1R,2R)-2-methoxy-2-methylcyclohexan-1-ol
CID 13950510
1,1,1-Trifluoro-3-(1-methylcyclohexyl)oxypropan-2-ol
CID 102048642
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
3,3-Difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol
CID 66602542
3,3-Difluoro-1-(1-hydroxyethyl)cyclohexan-1-ol
CID 66602553
4,4-Difluoro-1-(1-hydroxypropyl)cyclohexan-1-ol
CID 66602789

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-2,3-difluorocyclohexyl)methanol?
The IUPAC name of (1-ethoxy-2,3-difluorocyclohexyl)methanol (CID 66961952) is (1-ethoxy-2,3-difluorocyclohexyl)methanol.
What is the SMILES notation for (1-ethoxy-2,3-difluorocyclohexyl)methanol?
The canonical SMILES for (1-ethoxy-2,3-difluorocyclohexyl)methanol is CCOC1(CO)CCCC(F)C1F.
What is the InChIKey of (1-ethoxy-2,3-difluorocyclohexyl)methanol?
The InChIKey is QUQQKSLDJJJXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-2-13-9(6-12)5-3-4-7(10)8(9)11/h7-8,12H,2-6H2,1H3.
What are the key properties of (1-ethoxy-2,3-difluorocyclohexyl)methanol?
(1-ethoxy-2,3-difluorocyclohexyl)methanol has a molecular weight of 194.22 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-2,3-difluorocyclohexyl)methanol is sourced from PubChem (CID 66961952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).