(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone

C13H4F6O — CID 112694154

IUPAC(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H4F6O/c14-6-3-1-2-5(4-6)13(20)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H
InChIKeyYEBHKFUZAYGKPQ-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.75
Rot. Bonds2

About (3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone

(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone (PubChem CID 112694154) has the molecular formula C13H4F6O and a molecular weight of 290.16 g/mol. Its IUPAC name is (3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
PubChem CID112694154
Molecular FormulaC13H4F6O
Molecular Weight290.16 g/mol
Exact Mass290.02
IUPAC Name(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H4F6O/c14-6-3-1-2-5(4-6)13(20)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H
InChIKeyYEBHKFUZAYGKPQ-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
3-fluoro-N-hydroxybenzamide
CID 5082377
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
3-fluorobenzoyl bromide
CID 20822510
bismuth tris(3-fluorobenzoate)
CID 132504465
(3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone
CID 21487912
2-fluoro-3-(3-fluorobenzoyl)benzonitrile
CID 174421745
(3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone
CID 130758203
1-(3-fluorophenyl)-2,2-dihydroxyethanone
CID 55282672
2-(3-fluorobenzoyl)benzaldehyde
CID 175472655
(3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone
CID 11325317

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone?
The IUPAC name of (3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone (CID 112694154) is (3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone?
The canonical SMILES for (3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone is O=C(c1cccc(F)c1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone?
The InChIKey is YEBHKFUZAYGKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4F6O/c14-6-3-1-2-5(4-6)13(20)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H.
What are the key properties of (3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone?
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone has a molecular weight of 290.16 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone is sourced from PubChem (CID 112694154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).