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

C10H17ClF2O — CID 112575163

IUPAC2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol
SMILESCCC1CCCC(C(O)C(F)(F)Cl)C1
InChIInChI=1S/C10H17ClF2O/c1-2-7-4-3-5-8(6-7)9(14)10(11,12)13/h7-9,14H,2-6H2,1H3
InChIKeyJCFXTDPLIQPSKI-UHFFFAOYSA-N
MW226.69 g/mol
LogP3.40
Rot. Bonds3

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

2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol (PubChem CID 112575163) has the molecular formula C10H17ClF2O and a molecular weight of 226.69 g/mol. Its IUPAC name is 2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol
PubChem CID112575163
Molecular FormulaC10H17ClF2O
Molecular Weight226.69 g/mol
Exact Mass226.09
IUPAC Name2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol
SMILESCCC1CCCC(C(O)C(F)(F)Cl)C1
InChIInChI=1S/C10H17ClF2O/c1-2-7-4-3-5-8(6-7)9(14)10(11,12)13/h7-9,14H,2-6H2,1H3
InChIKeyJCFXTDPLIQPSKI-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112699179
2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
(3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115808432
(3-ethylcyclohexyl)-(4-propylcyclohexyl)methanol
CID 65423709
1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol
CID 112575215
(3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105156191
[1-(3-ethylcyclohexyl)-3,3,3-trifluoropropyl]hydrazine
CID 105206001
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
1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105104403

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol?
The IUPAC name of 2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol (CID 112575163) is 2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol?
The canonical SMILES for 2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol is CCC1CCCC(C(O)C(F)(F)Cl)C1.
What is the InChIKey of 2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol?
The InChIKey is JCFXTDPLIQPSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF2O/c1-2-7-4-3-5-8(6-7)9(14)10(11,12)13/h7-9,14H,2-6H2,1H3.
What are the key properties of 2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol?
2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol has a molecular weight of 226.69 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol is sourced from PubChem (CID 112575163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).