1-methylidene-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-isoquinoline

C17H14F3N — CID 70290228

IUPAC1-methylidene-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-isoquinoline
SMILESC=C1NCCc2cc(-c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C17H14F3N/c1-11-16-6-5-13(9-14(16)7-8-21-11)12-3-2-4-15(10-12)17(18,19)20/h2-6,9-10,21H,1,7-8H2
InChIKeyVWQWWUYBLAQWDX-UHFFFAOYSA-N
MW289.30 g/mol
LogP4.49
Rot. Bonds1

About 1-methylidene-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-isoquinoline

1-methylidene-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-isoquinoline (PubChem CID 70290228) has the molecular formula C17H14F3N and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-methylidene-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-isoquinoline.

Molecular Properties

Compound Name1-methylidene-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-isoquinoline
PubChem CID70290228
Molecular FormulaC17H14F3N
Molecular Weight289.30 g/mol
Exact Mass289.11
IUPAC Name1-methylidene-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-isoquinoline
SMILESC=C1NCCc2cc(-c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C17H14F3N/c1-11-16-6-5-13(9-14(16)7-8-21-11)12-3-2-4-15(10-12)17(18,19)20/h2-6,9-10,21H,1,7-8H2
InChIKeyVWQWWUYBLAQWDX-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
N,N-dimethyl-6-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 25125378
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
4-[3-[3-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 10496132
trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90174149
4-methylidene-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline
CID 129083834
2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 10683160
7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82541502
2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene
CID 134626202
1,2,3-trifluoro-4-[3-(trifluoromethyl)phenyl]benzene
CID 134617400

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-isoquinoline?
The IUPAC name of 1-methylidene-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-isoquinoline (CID 70290228) is 1-methylidene-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-isoquinoline.
What is the SMILES notation for 1-methylidene-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-isoquinoline?
The canonical SMILES for 1-methylidene-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-isoquinoline is C=C1NCCc2cc(-c3cccc(C(F)(F)F)c3)ccc21.
What is the InChIKey of 1-methylidene-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-isoquinoline?
The InChIKey is VWQWWUYBLAQWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N/c1-11-16-6-5-13(9-14(16)7-8-21-11)12-3-2-4-15(10-12)17(18,19)20/h2-6,9-10,21H,1,7-8H2.
What are the key properties of 1-methylidene-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-isoquinoline?
1-methylidene-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-isoquinoline has a molecular weight of 289.30 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-isoquinoline is sourced from PubChem (CID 70290228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).