(1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol

C8H5ClF4O — CID 130512088

IUPAC(1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol
SMILESO[C@H](c1c(F)cccc1Cl)C(F)(F)F
InChIInChI=1S/C8H5ClF4O/c9-4-2-1-3-5(10)6(4)7(14)8(11,12)13/h1-3,7,14H/t7-/m1/s1
InChIKeyHAFNMYQVKGJDSZ-SSDOTTSWSA-N
MW228.57 g/mol
LogP3.07
Rot. Bonds1

About (1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol

(1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol (PubChem CID 130512088) has the molecular formula C8H5ClF4O and a molecular weight of 228.57 g/mol. Its IUPAC name is (1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol
PubChem CID130512088
Molecular FormulaC8H5ClF4O
Molecular Weight228.57 g/mol
Exact Mass228.00
IUPAC Name(1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol
SMILESO[C@H](c1c(F)cccc1Cl)C(F)(F)F
InChIInChI=1S/C8H5ClF4O/c9-4-2-1-3-5(10)6(4)7(14)8(11,12)13/h1-3,7,14H/t7-/m1/s1
InChIKeyHAFNMYQVKGJDSZ-SSDOTTSWSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.57
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,3S)-3-amino-1-(2-chloro-6-fluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171236880
(1R,3S)-3-amino-1-(2-chloro-6-fluorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171236881
2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 79560259
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 131299540
ethyl 3-(2-chloro-6-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 62397211
(2-chloro-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63895624
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246333
3-(2-chloro-6-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823544
1-(2-chloro-6-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016942
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
(2-chloro-6-fluorophenyl)-(3-fluorophenyl)methanol
CID 63896004

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol?
The IUPAC name of (1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol (CID 130512088) is (1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol is O[C@H](c1c(F)cccc1Cl)C(F)(F)F.
What is the InChIKey of (1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol?
The InChIKey is HAFNMYQVKGJDSZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H5ClF4O/c9-4-2-1-3-5(10)6(4)7(14)8(11,12)13/h1-3,7,14H/t7-/m1/s1.
What are the key properties of (1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol?
(1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol has a molecular weight of 228.57 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 130512088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).