[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]methanol

C14H12F3NO — CID 59993573

IUPAC[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]methanol
SMILESCc1ccc(Nc2c(CO)ccc(F)c2F)c(F)c1
InChIInChI=1S/C14H12F3NO/c1-8-2-5-12(11(16)6-8)18-14-9(7-19)3-4-10(15)13(14)17/h2-6,18-19H,7H2,1H3
InChIKeySUKFANQTPDRMIW-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.65
Rot. Bonds3

About [3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]methanol

[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]methanol (PubChem CID 59993573) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is [3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]methanol.

Molecular Properties

Compound Name[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]methanol
PubChem CID59993573
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]methanol
SMILESCc1ccc(Nc2c(CO)ccc(F)c2F)c(F)c1
InChIInChI=1S/C14H12F3NO/c1-8-2-5-12(11(16)6-8)18-14-9(7-19)3-4-10(15)13(14)17/h2-6,18-19H,7H2,1H3
InChIKeySUKFANQTPDRMIW-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]methanol?
The IUPAC name of [3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]methanol (CID 59993573) is [3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]methanol.
What is the SMILES notation for [3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]methanol?
The canonical SMILES for [3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]methanol is Cc1ccc(Nc2c(CO)ccc(F)c2F)c(F)c1.
What is the InChIKey of [3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]methanol?
The InChIKey is SUKFANQTPDRMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-8-2-5-12(11(16)6-8)18-14-9(7-19)3-4-10(15)13(14)17/h2-6,18-19H,7H2,1H3.
What are the key properties of [3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]methanol?
[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]methanol has a molecular weight of 267.25 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]methanol is sourced from PubChem (CID 59993573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).