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

C9H9ClF2O — CID 84674717

IUPAC1-[2-chloro-5-(difluoromethyl)phenyl]ethanol
SMILESCC(O)c1cc(C(F)F)ccc1Cl
InChIInChI=1S/C9H9ClF2O/c1-5(13)7-4-6(9(11)12)2-3-8(7)10/h2-5,9,13H,1H3
InChIKeyGVHKFBVLJRYCHO-UHFFFAOYSA-N
MW206.62 g/mol
LogP3.33
Rot. Bonds2

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

1-[2-chloro-5-(difluoromethyl)phenyl]ethanol (PubChem CID 84674717) has the molecular formula C9H9ClF2O and a molecular weight of 206.62 g/mol. Its IUPAC name is 1-[2-chloro-5-(difluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-chloro-5-(difluoromethyl)phenyl]ethanol
PubChem CID84674717
Molecular FormulaC9H9ClF2O
Molecular Weight206.62 g/mol
Exact Mass206.03
IUPAC Name1-[2-chloro-5-(difluoromethyl)phenyl]ethanol
SMILESCC(O)c1cc(C(F)F)ccc1Cl
InChIInChI=1S/C9H9ClF2O/c1-5(13)7-4-6(9(11)12)2-3-8(7)10/h2-5,9,13H,1H3
InChIKeyGVHKFBVLJRYCHO-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-methylphenyl)ethanol;ethane
CID 143592290
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84699082
1-(4-chloro-2,3-difluorophenyl)ethanol
CID 164892643
(2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide
CID 171580435
(1R,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171160035
3-(2-amino-1-hydroxypropyl)-4-chlorophenol
CID 84670328
(1R)-1-(3-bromo-4-chlorophenyl)ethanol
CID 112756230
(1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171262154
(1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131404288
(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171269007
1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84673745

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(difluoromethyl)phenyl]ethanol?
The IUPAC name of 1-[2-chloro-5-(difluoromethyl)phenyl]ethanol (CID 84674717) is 1-[2-chloro-5-(difluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-[2-chloro-5-(difluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-[2-chloro-5-(difluoromethyl)phenyl]ethanol is CC(O)c1cc(C(F)F)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-(difluoromethyl)phenyl]ethanol?
The InChIKey is GVHKFBVLJRYCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O/c1-5(13)7-4-6(9(11)12)2-3-8(7)10/h2-5,9,13H,1H3.
What are the key properties of 1-[2-chloro-5-(difluoromethyl)phenyl]ethanol?
1-[2-chloro-5-(difluoromethyl)phenyl]ethanol has a molecular weight of 206.62 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(difluoromethyl)phenyl]ethanol is sourced from PubChem (CID 84674717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).