ethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol

C11H22F2O — CID 153329638

IUPACethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol
SMILESCC.CCC1CCCC1C(O)C(F)F
InChIInChI=1S/C9H16F2O.C2H6/c1-2-6-4-3-5-7(6)8(12)9(10)11;1-2/h6-9,12H,2-5H2,1H3;1-2H3
InChIKeyQLYCXUQOPAYIIZ-UHFFFAOYSA-N
MW208.29 g/mol
LogP3.46
Rot. Bonds3

About ethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol

ethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol (PubChem CID 153329638) has the molecular formula C11H22F2O and a molecular weight of 208.29 g/mol. Its IUPAC name is ethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol.

Molecular Properties

Compound Nameethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol
PubChem CID153329638
Molecular FormulaC11H22F2O
Molecular Weight208.29 g/mol
Exact Mass208.16
IUPAC Nameethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol
SMILESCC.CCC1CCCC1C(O)C(F)F
InChIInChI=1S/C9H16F2O.C2H6/c1-2-6-4-3-5-7(6)8(12)9(10)11;1-2/h6-9,12H,2-5H2,1H3;1-2H3
InChIKeyQLYCXUQOPAYIIZ-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(2-Ethylcyclopentyl)methanol
CID 91697630
rac-[(1R,2R)-2-(trifluoromethyl)cyclopentyl]methanol
CID 137952372
rac-1-((1R,2R)-2-methylcyclopentyl)ethan-1-ol
CID 142164375
(2-Ethylcyclopentyl)methanol
CID 556982
6-(Difluoromethyl)-3,7-dimethyloctan-1-ol
CID 166444510
1-Cyclopentylpropan-2-ol
CID 21741842
4-Trifluoromethyloctanol
CID 14745954
3,3-Difluoro-2-methyldecan-4-ol
CID 15783633
(2R)-1,1,1-trifluoro-4-propylheptan-2-ol
CID 18396351
(2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol
CID 18396352
(2R)-6-ethyl-1,1,1-trifluorooctan-2-ol
CID 18396354
(2R)-7-ethyl-1,1,1-trifluorononan-2-ol
CID 18396356

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol?
The IUPAC name of ethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol (CID 153329638) is ethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol.
What is the SMILES notation for ethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol?
The canonical SMILES for ethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol is CC.CCC1CCCC1C(O)C(F)F.
What is the InChIKey of ethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol?
The InChIKey is QLYCXUQOPAYIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O.C2H6/c1-2-6-4-3-5-7(6)8(12)9(10)11;1-2/h6-9,12H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol?
ethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol has a molecular weight of 208.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol is sourced from PubChem (CID 153329638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).