2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol

C13H9Cl2F2NO — CID 83081707

IUPAC2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol
SMILESOc1ccc(CNc2c(F)cc(F)cc2Cl)cc1Cl
InChIInChI=1S/C13H9Cl2F2NO/c14-9-3-7(1-2-12(9)19)6-18-13-10(15)4-8(16)5-11(13)17/h1-5,18-19H,6H2
InChIKeyDSHWQWLGUUWTPX-UHFFFAOYSA-N
MW304.12 g/mol
LogP4.59
Rot. Bonds3

About 2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol

2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol (PubChem CID 83081707) has the molecular formula C13H9Cl2F2NO and a molecular weight of 304.12 g/mol. Its IUPAC name is 2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol
PubChem CID83081707
Molecular FormulaC13H9Cl2F2NO
Molecular Weight304.12 g/mol
Exact Mass303.00
IUPAC Name2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol
SMILESOc1ccc(CNc2c(F)cc(F)cc2Cl)cc1Cl
InChIInChI=1S/C13H9Cl2F2NO/c14-9-3-7(1-2-12(9)19)6-18-13-10(15)4-8(16)5-11(13)17/h1-5,18-19H,6H2
InChIKeyDSHWQWLGUUWTPX-UHFFFAOYSA-N
XLogP4.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 83081403
2-chloro-4,6-difluoro-N-[(4-nitrophenyl)methyl]aniline
CID 82890271
2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104822073
2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 83076631
2-chloro-4-[(4-chloro-3-fluorophenyl)methylamino]phenol
CID 107678415
4-[(3-bromo-4-fluoroanilino)methyl]-2-chlorophenol
CID 113451871
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
CID 83081309
2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorophenol
CID 107694554
2-chloro-4-[(2,4,5-trichloroanilino)methyl]phenol
CID 63419363
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114
2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol
CID 58752919
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-4,6-difluoroaniline
CID 83081174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol?
The IUPAC name of 2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol (CID 83081707) is 2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol.
What is the SMILES notation for 2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol?
The canonical SMILES for 2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol is Oc1ccc(CNc2c(F)cc(F)cc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol?
The InChIKey is DSHWQWLGUUWTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2NO/c14-9-3-7(1-2-12(9)19)6-18-13-10(15)4-8(16)5-11(13)17/h1-5,18-19H,6H2.
What are the key properties of 2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol?
2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol has a molecular weight of 304.12 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol is sourced from PubChem (CID 83081707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).