1-(2,6-difluoro-4-methoxyphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]methanimine

C14H9F5N2O — CID 66880339

IUPAC1-(2,6-difluoro-4-methoxyphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]methanimine
SMILESCOc1cc(F)c(/C=N/c2ccc(C(F)(F)F)nc2)c(F)c1
InChIInChI=1S/C14H9F5N2O/c1-22-9-4-11(15)10(12(16)5-9)7-20-8-2-3-13(21-6-8)14(17,18)19/h2-7H,1H3/b20-7+
InChIKeyRRXTUTNSDDFHHC-IFRROFPPSA-N
MW316.23 g/mol
LogP4.14
Rot. Bonds3

About 1-(2,6-difluoro-4-methoxyphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]methanimine

1-(2,6-difluoro-4-methoxyphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]methanimine (PubChem CID 66880339) has the molecular formula C14H9F5N2O and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-methoxyphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]methanimine.

Molecular Properties

Compound Name1-(2,6-difluoro-4-methoxyphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]methanimine
PubChem CID66880339
Molecular FormulaC14H9F5N2O
Molecular Weight316.23 g/mol
Exact Mass316.06
IUPAC Name1-(2,6-difluoro-4-methoxyphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]methanimine
SMILESCOc1cc(F)c(/C=N/c2ccc(C(F)(F)F)nc2)c(F)c1
InChIInChI=1S/C14H9F5N2O/c1-22-9-4-11(15)10(12(16)5-9)7-20-8-2-3-13(21-6-8)14(17,18)19/h2-7H,1H3/b20-7+
InChIKeyRRXTUTNSDDFHHC-IFRROFPPSA-N
XLogP4.14
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine
CID 54205249
1-(2-fluoro-4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 69042261
(E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine
CID 19368504
5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine
CID 177185793
5-ethoxy-2-(trifluoromethyl)pyridine
CID 126758289
2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide
CID 82817189
[(2,6-difluoro-4-methoxyphenyl)methylideneamino]thiourea
CID 168534216
N-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)methanimine
CID 693625
(NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 169239016
5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
CID 135235968
1-(2-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 103395231
1-[(4R)-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 139475910

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]methanimine?
The IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]methanimine (CID 66880339) is 1-(2,6-difluoro-4-methoxyphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]methanimine.
What is the SMILES notation for 1-(2,6-difluoro-4-methoxyphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]methanimine?
The canonical SMILES for 1-(2,6-difluoro-4-methoxyphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]methanimine is COc1cc(F)c(/C=N/c2ccc(C(F)(F)F)nc2)c(F)c1.
What is the InChIKey of 1-(2,6-difluoro-4-methoxyphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]methanimine?
The InChIKey is RRXTUTNSDDFHHC-IFRROFPPSA-N. The full InChI is InChI=1S/C14H9F5N2O/c1-22-9-4-11(15)10(12(16)5-9)7-20-8-2-3-13(21-6-8)14(17,18)19/h2-7H,1H3/b20-7+.
What are the key properties of 1-(2,6-difluoro-4-methoxyphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]methanimine?
1-(2,6-difluoro-4-methoxyphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]methanimine has a molecular weight of 316.23 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-methoxyphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]methanimine is sourced from PubChem (CID 66880339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).