1-benzhydryl-2,3,4-trifluorobenzene

C19H13F3 — CID 171476806

IUPAC1-benzhydryl-2,3,4-trifluorobenzene
SMILESFc1ccc(C(c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/C19H13F3/c20-16-12-11-15(18(21)19(16)22)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H
InChIKeyFSGVZAPIFIMCHU-UHFFFAOYSA-N
MW298.31 g/mol
LogP5.28
Rot. Bonds3

About 1-benzhydryl-2,3,4-trifluorobenzene

1-benzhydryl-2,3,4-trifluorobenzene (PubChem CID 171476806) has the molecular formula C19H13F3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-benzhydryl-2,3,4-trifluorobenzene.

Molecular Properties

Compound Name1-benzhydryl-2,3,4-trifluorobenzene
PubChem CID171476806
Molecular FormulaC19H13F3
Molecular Weight298.31 g/mol
Exact Mass298.10
IUPAC Name1-benzhydryl-2,3,4-trifluorobenzene
SMILESFc1ccc(C(c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/C19H13F3/c20-16-12-11-15(18(21)19(16)22)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H
InChIKeyFSGVZAPIFIMCHU-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.31
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-benzhydryl-4-chlorobenzene
CID 13050205
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
(1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine
CID 63080571
benzhydrylbenzene hexatetrafluoroborate
CID 173334521
(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855341
N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 62965810
(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 62965110
[fluoro(fluoro)methyl]benzene
CID 146164458
1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene
CID 79754944
1-phenyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 64505128
2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 65410711

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-2,3,4-trifluorobenzene?
The IUPAC name of 1-benzhydryl-2,3,4-trifluorobenzene (CID 171476806) is 1-benzhydryl-2,3,4-trifluorobenzene.
What is the SMILES notation for 1-benzhydryl-2,3,4-trifluorobenzene?
The canonical SMILES for 1-benzhydryl-2,3,4-trifluorobenzene is Fc1ccc(C(c2ccccc2)c2ccccc2)c(F)c1F.
What is the InChIKey of 1-benzhydryl-2,3,4-trifluorobenzene?
The InChIKey is FSGVZAPIFIMCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3/c20-16-12-11-15(18(21)19(16)22)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H.
What are the key properties of 1-benzhydryl-2,3,4-trifluorobenzene?
1-benzhydryl-2,3,4-trifluorobenzene has a molecular weight of 298.31 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-2,3,4-trifluorobenzene is sourced from PubChem (CID 171476806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).