N-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine

C20H13F4NO — CID 169122838

IUPACN-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine
SMILESFc1cc(OC(F)(F)F)ccc1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H13F4NO/c21-17-13-16(26-20(22,23)24)11-12-18(17)25-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H
InChIKeyBGXFWEXNZZZRCT-UHFFFAOYSA-N
MW359.32 g/mol
LogP5.89
Rot. Bonds4

About N-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine

N-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine (PubChem CID 169122838) has the molecular formula C20H13F4NO and a molecular weight of 359.32 g/mol. Its IUPAC name is N-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine
PubChem CID169122838
Molecular FormulaC20H13F4NO
Molecular Weight359.32 g/mol
Exact Mass359.09
IUPAC NameN-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine
SMILESFc1cc(OC(F)(F)F)ccc1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H13F4NO/c21-17-13-16(26-20(22,23)24)11-12-18(17)25-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H
InChIKeyBGXFWEXNZZZRCT-UHFFFAOYSA-N
XLogP5.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.32
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(benzhydrylideneamino)-3-fluorophenyl]-2-methylpropan-2-ol
CID 125466439
N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine
CID 171062917
2-fluoro-4-(trifluoromethoxy)benzonitrile
CID 66523443
[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone
CID 767339
trifluoromethoxybenzene
CID 157402708
2-[[amino-(diaminomethylideneamino)methylidene]amino]-5-(trifluoromethoxy)benzoic acid
CID 168601729
2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
CID 123962204
2-(trifluoromethoxy)triphenylene
CID 154001040
benzyl N'-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylideneamino]carbamimidothioate
CID 168612491
trifluoromethoxybenzene fluoride
CID 158305019
N'-(4-chloro-2-fluorophenyl)benzenecarboximidamide
CID 63177544
4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol
CID 170477398

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine (CID 169122838) is N-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine is Fc1cc(OC(F)(F)F)ccc1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine?
The InChIKey is BGXFWEXNZZZRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4NO/c21-17-13-16(26-20(22,23)24)11-12-18(17)25-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H.
What are the key properties of N-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine?
N-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine has a molecular weight of 359.32 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 169122838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).