2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[cd]indol-5-one

C18H12F3NO — CID 19348142

IUPAC2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[cd]indol-5-one
SMILESO=C1CCc2c(-c3ccc(C(F)(F)F)cc3)[nH]c3cccc1c23
InChIInChI=1S/C18H12F3NO/c19-18(20,21)11-6-4-10(5-7-11)17-13-8-9-15(23)12-2-1-3-14(22-17)16(12)13/h1-7,22H,8-9H2
InChIKeyRCZUAIDFBBTTRX-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.98
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[cd]indol-5-one

2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[cd]indol-5-one (PubChem CID 19348142) has the molecular formula C18H12F3NO and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[cd]indol-5-one.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[cd]indol-5-one
PubChem CID19348142
Molecular FormulaC18H12F3NO
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[cd]indol-5-one
SMILESO=C1CCc2c(-c3ccc(C(F)(F)F)cc3)[nH]c3cccc1c23
InChIInChI=1S/C18H12F3NO/c19-18(20,21)11-6-4-10(5-7-11)17-13-8-9-15(23)12-2-1-3-14(22-17)16(12)13/h1-7,22H,8-9H2
InChIKeyRCZUAIDFBBTTRX-UHFFFAOYSA-N
XLogP4.98
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[cd]indol-5-one?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[cd]indol-5-one (CID 19348142) is 2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[cd]indol-5-one.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[cd]indol-5-one?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[cd]indol-5-one is O=C1CCc2c(-c3ccc(C(F)(F)F)cc3)[nH]c3cccc1c23.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[cd]indol-5-one?
The InChIKey is RCZUAIDFBBTTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO/c19-18(20,21)11-6-4-10(5-7-11)17-13-8-9-15(23)12-2-1-3-14(22-17)16(12)13/h1-7,22H,8-9H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[cd]indol-5-one?
2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[cd]indol-5-one has a molecular weight of 315.29 g/mol, XLogP of 4.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[cd]indol-5-one is sourced from PubChem (CID 19348142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).