1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol

C9H9ClF2O2 — CID 62072382

IUPAC1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C9H9ClF2O2/c1-5(13)7-4-6(10)2-3-8(7)14-9(11)12/h2-5,9,13H,1H3
InChIKeyCOYIWNMSVIWRGS-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.99
Rot. Bonds3

About 1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol

1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol (PubChem CID 62072382) has the molecular formula C9H9ClF2O2 and a molecular weight of 222.62 g/mol. Its IUPAC name is 1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol
PubChem CID62072382
Molecular FormulaC9H9ClF2O2
Molecular Weight222.62 g/mol
Exact Mass222.03
IUPAC Name1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C9H9ClF2O2/c1-5(13)7-4-6(10)2-3-8(7)14-9(11)12/h2-5,9,13H,1H3
InChIKeyCOYIWNMSVIWRGS-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol?
The IUPAC name of 1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol (CID 62072382) is 1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol is CC(O)c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol?
The InChIKey is COYIWNMSVIWRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O2/c1-5(13)7-4-6(10)2-3-8(7)14-9(11)12/h2-5,9,13H,1H3.
What are the key properties of 1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol?
1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol has a molecular weight of 222.62 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(difluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 62072382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).