3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine

C19H14F3NO — CID 130385238

IUPAC3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
SMILESNC1Cc2c(ccc3ccccc23)OC1c1cc(F)c(F)cc1F
InChIInChI=1S/C19H14F3NO/c20-14-9-16(22)15(21)7-13(14)19-17(23)8-12-11-4-2-1-3-10(11)5-6-18(12)24-19/h1-7,9,17,19H,8,23H2
InChIKeyPOGGQRUNRMLVFW-UHFFFAOYSA-N
MW329.32 g/mol
LogP4.26
Rot. Bonds1

About 3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine

3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine (PubChem CID 130385238) has the molecular formula C19H14F3NO and a molecular weight of 329.32 g/mol. Its IUPAC name is 3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine.

Molecular Properties

Compound Name3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
PubChem CID130385238
Molecular FormulaC19H14F3NO
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC Name3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
SMILESNC1Cc2c(ccc3ccccc23)OC1c1cc(F)c(F)cc1F
InChIInChI=1S/C19H14F3NO/c20-14-9-16(22)15(21)7-13(14)19-17(23)8-12-11-4-2-1-3-10(11)5-6-18(12)24-19/h1-7,9,17,19H,8,23H2
InChIKeyPOGGQRUNRMLVFW-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine?
The IUPAC name of 3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine (CID 130385238) is 3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine.
What is the SMILES notation for 3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine?
The canonical SMILES for 3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine is NC1Cc2c(ccc3ccccc23)OC1c1cc(F)c(F)cc1F.
What is the InChIKey of 3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine?
The InChIKey is POGGQRUNRMLVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO/c20-14-9-16(22)15(21)7-13(14)19-17(23)8-12-11-4-2-1-3-10(11)5-6-18(12)24-19/h1-7,9,17,19H,8,23H2.
What are the key properties of 3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine?
3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine has a molecular weight of 329.32 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine is sourced from PubChem (CID 130385238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).