3-[3-(trifluoromethyl)phenyl]chromen-2-imine

C16H10F3NO — CID 134811612

IUPAC3-[3-(trifluoromethyl)phenyl]chromen-2-imine
SMILES[H]/N=c1\oc2ccccc2cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10F3NO/c17-16(18,19)12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)21-15(13)20/h1-9,20H/b20-15-
InChIKeyLIOGFMZPXJCLQK-HKWRFOASSA-N
MW289.26 g/mol
LogP4.60
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]chromen-2-imine

3-[3-(trifluoromethyl)phenyl]chromen-2-imine (PubChem CID 134811612) has the molecular formula C16H10F3NO and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]chromen-2-imine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]chromen-2-imine
PubChem CID134811612
Molecular FormulaC16H10F3NO
Molecular Weight289.26 g/mol
Exact Mass289.07
IUPAC Name3-[3-(trifluoromethyl)phenyl]chromen-2-imine
SMILES[H]/N=c1\oc2ccccc2cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10F3NO/c17-16(18,19)12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)21-15(13)20/h1-9,20H/b20-15-
InChIKeyLIOGFMZPXJCLQK-HKWRFOASSA-N
XLogP4.60
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)chromen-2-imine
CID 10657405
2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 3514997
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
[2-[3-(trifluoromethyl)phenyl]phenyl]phosphane
CID 175247620
2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline
CID 2765458
1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol;zirconium(2+);dicyanide
CID 11297071
3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid
CID 154248063
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-[4-[4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalen-1-yl]-1,3-benzoxazole
CID 171056574
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
6-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde
CID 122475933

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]chromen-2-imine?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]chromen-2-imine (CID 134811612) is 3-[3-(trifluoromethyl)phenyl]chromen-2-imine.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]chromen-2-imine?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]chromen-2-imine is [H]/N=c1\oc2ccccc2cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]chromen-2-imine?
The InChIKey is LIOGFMZPXJCLQK-HKWRFOASSA-N. The full InChI is InChI=1S/C16H10F3NO/c17-16(18,19)12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)21-15(13)20/h1-9,20H/b20-15-.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]chromen-2-imine?
3-[3-(trifluoromethyl)phenyl]chromen-2-imine has a molecular weight of 289.26 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]chromen-2-imine is sourced from PubChem (CID 134811612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).