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

C13H8ClF4NO — CID 83081403

IUPAC4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol
SMILESOc1c(F)cc(CNc2c(F)cc(F)cc2Cl)cc1F
InChIInChI=1S/C13H8ClF4NO/c14-8-3-7(15)4-9(16)12(8)19-5-6-1-10(17)13(20)11(18)2-6/h1-4,19-20H,5H2
InChIKeyFMVIWHNPONKAPD-UHFFFAOYSA-N
MW305.66 g/mol
LogP4.21
Rot. Bonds3

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

4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol (PubChem CID 83081403) has the molecular formula C13H8ClF4NO and a molecular weight of 305.66 g/mol. Its IUPAC name is 4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol
PubChem CID83081403
Molecular FormulaC13H8ClF4NO
Molecular Weight305.66 g/mol
Exact Mass305.02
IUPAC Name4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol
SMILESOc1c(F)cc(CNc2c(F)cc(F)cc2Cl)cc1F
InChIInChI=1S/C13H8ClF4NO/c14-8-3-7(15)4-9(16)12(8)19-5-6-1-10(17)13(20)11(18)2-6/h1-4,19-20H,5H2
InChIKeyFMVIWHNPONKAPD-UHFFFAOYSA-N
XLogP4.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.66
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 79891767
2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol
CID 83081707
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-4,6-difluoroaniline
CID 83081174
2-chloro-4,6-difluoro-N-[(4-nitrophenyl)methyl]aniline
CID 82890271
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
CID 83081309
4-[(2-chloroanilino)methyl]-2,6-difluorophenol
CID 79886747
2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104822073
N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
CID 130589041
2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline
CID 83081590
2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402948
2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline
CID 107610048
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol?
The IUPAC name of 4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol (CID 83081403) is 4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol is Oc1c(F)cc(CNc2c(F)cc(F)cc2Cl)cc1F.
What is the InChIKey of 4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol?
The InChIKey is FMVIWHNPONKAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4NO/c14-8-3-7(15)4-9(16)12(8)19-5-6-1-10(17)13(20)11(18)2-6/h1-4,19-20H,5H2.
What are the key properties of 4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol?
4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol has a molecular weight of 305.66 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol is sourced from PubChem (CID 83081403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).