2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol

C14H10F5NO — CID 79881281

IUPAC2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol
SMILESOc1c(F)cc(CNc2ccccc2C(F)(F)F)cc1F
InChIInChI=1S/C14H10F5NO/c15-10-5-8(6-11(16)13(10)21)7-20-12-4-2-1-3-9(12)14(17,18)19/h1-6,20-21H,7H2
InChIKeyVMQMZAVJHHIAQN-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.30
Rot. Bonds3

About 2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol

2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol (PubChem CID 79881281) has the molecular formula C14H10F5NO and a molecular weight of 303.23 g/mol. Its IUPAC name is 2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol
PubChem CID79881281
Molecular FormulaC14H10F5NO
Molecular Weight303.23 g/mol
Exact Mass303.07
IUPAC Name2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol
SMILESOc1c(F)cc(CNc2ccccc2C(F)(F)F)cc1F
InChIInChI=1S/C14H10F5NO/c15-10-5-8(6-11(16)13(10)21)7-20-12-4-2-1-3-9(12)14(17,18)19/h1-6,20-21H,7H2
InChIKeyVMQMZAVJHHIAQN-UHFFFAOYSA-N
XLogP4.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloroanilino)methyl]-2,6-difluorophenol
CID 79886747
4-[(2-bromoanilino)methyl]-2,6-difluorophenol
CID 79886224
4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol
CID 79881285
4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
CID 79832570
4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol
CID 79881310
2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol
CID 70822632
2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79892131
(E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol
CID 115038099
2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 61075903
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 105357849
N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline
CID 29040115
5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 43385725

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol (CID 79881281) is 2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol is Oc1c(F)cc(CNc2ccccc2C(F)(F)F)cc1F.
What is the InChIKey of 2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol?
The InChIKey is VMQMZAVJHHIAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO/c15-10-5-8(6-11(16)13(10)21)7-20-12-4-2-1-3-9(12)14(17,18)19/h1-6,20-21H,7H2.
What are the key properties of 2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol?
2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol has a molecular weight of 303.23 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol is sourced from PubChem (CID 79881281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).