1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol

C9H7F5O2 — CID 130132864

IUPAC1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol
SMILESCOc1c(F)ccc(C(O)C(F)(F)F)c1F
InChIInChI=1S/C9H7F5O2/c1-16-7-5(10)3-2-4(6(7)11)8(15)9(12,13)14/h2-3,8,15H,1H3
InChIKeySCTZXKALJRNOOI-UHFFFAOYSA-N
MW242.14 g/mol
LogP2.57
Rot. Bonds2

About 1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol

1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol (PubChem CID 130132864) has the molecular formula C9H7F5O2 and a molecular weight of 242.14 g/mol. Its IUPAC name is 1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol
PubChem CID130132864
Molecular FormulaC9H7F5O2
Molecular Weight242.14 g/mol
Exact Mass242.04
IUPAC Name1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol
SMILESCOc1c(F)ccc(C(O)C(F)(F)F)c1F
InChIInChI=1S/C9H7F5O2/c1-16-7-5(10)3-2-4(6(7)11)8(15)9(12,13)14/h2-3,8,15H,1H3
InChIKeySCTZXKALJRNOOI-UHFFFAOYSA-N
XLogP2.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethanol
CID 24774054
(2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide
CID 174833873
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol
CID 62962605
4-amino-4-(2,4-difluoro-3-methoxyphenyl)butanoic acid
CID 117364223
1-(3,6-difluoro-2-methoxyphenyl)ethanol
CID 84661307
1,2-difluoro-3-methoxy-4-propan-2-ylbenzene
CID 123427899
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61081677
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
(2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171261516
1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol
CID 164894852
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
methyl 2-amino-2-[2,4-difluoro-3-(trifluoromethoxy)phenyl]acetate
CID 172569427

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol (CID 130132864) is 1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol is COc1c(F)ccc(C(O)C(F)(F)F)c1F.
What is the InChIKey of 1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol?
The InChIKey is SCTZXKALJRNOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5O2/c1-16-7-5(10)3-2-4(6(7)11)8(15)9(12,13)14/h2-3,8,15H,1H3.
What are the key properties of 1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol?
1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol has a molecular weight of 242.14 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 130132864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).