1-(3-ethylcyclohexyl)-2,2-difluoroethanol

C10H18F2O — CID 112699179

IUPAC1-(3-ethylcyclohexyl)-2,2-difluoroethanol
SMILESCCC1CCCC(C(O)C(F)F)C1
InChIInChI=1S/C10H18F2O/c1-2-7-4-3-5-8(6-7)9(13)10(11)12/h7-10,13H,2-6H2,1H3
InChIKeyQSXMAWQWQIKMMY-UHFFFAOYSA-N
MW192.25 g/mol
LogP2.83
Rot. Bonds3

About 1-(3-ethylcyclohexyl)-2,2-difluoroethanol

1-(3-ethylcyclohexyl)-2,2-difluoroethanol (PubChem CID 112699179) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-2,2-difluoroethanol
PubChem CID112699179
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name1-(3-ethylcyclohexyl)-2,2-difluoroethanol
SMILESCCC1CCCC(C(O)C(F)F)C1
InChIInChI=1S/C10H18F2O/c1-2-7-4-3-5-8(6-7)9(13)10(11)12/h7-10,13H,2-6H2,1H3
InChIKeyQSXMAWQWQIKMMY-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112575163
(3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115808432
1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol
CID 79177597
(3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol
CID 115808567
cyclopentyl-(3-ethylcyclopentyl)methanol
CID 65410347
1-(3-ethylcyclohexyl)butan-2-ol
CID 79424228
(3-ethylcyclohexyl)-(4-propylcyclohexyl)methanol
CID 65423709
1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105104403
1-(3-ethylcyclohexyl)decan-1-ol
CID 65401129
3-(3-ethylcyclohexyl)-4-methylpentan-2-one
CID 79417882
[(3-ethylcyclohexyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265794

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-2,2-difluoroethanol?
The IUPAC name of 1-(3-ethylcyclohexyl)-2,2-difluoroethanol (CID 112699179) is 1-(3-ethylcyclohexyl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-2,2-difluoroethanol?
The canonical SMILES for 1-(3-ethylcyclohexyl)-2,2-difluoroethanol is CCC1CCCC(C(O)C(F)F)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-2,2-difluoroethanol?
The InChIKey is QSXMAWQWQIKMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-2-7-4-3-5-8(6-7)9(13)10(11)12/h7-10,13H,2-6H2,1H3.
What are the key properties of 1-(3-ethylcyclohexyl)-2,2-difluoroethanol?
1-(3-ethylcyclohexyl)-2,2-difluoroethanol has a molecular weight of 192.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-2,2-difluoroethanol is sourced from PubChem (CID 112699179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).