diphenylmethanone;4-fluoroaniline

C19H16FNO — CID 174706224

IUPACdiphenylmethanone;4-fluoroaniline
SMILESNc1ccc(F)cc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C6H6FN/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-5-1-3-6(8)4-2-5/h1-10H;1-4H,8H2
InChIKeyFWZYOCKRIKUPLL-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.33
Rot. Bonds2

About diphenylmethanone;4-fluoroaniline

diphenylmethanone;4-fluoroaniline (PubChem CID 174706224) has the molecular formula C19H16FNO and a molecular weight of 293.34 g/mol. Its IUPAC name is diphenylmethanone;4-fluoroaniline.

Molecular Properties

Compound Namediphenylmethanone;4-fluoroaniline
PubChem CID174706224
Molecular FormulaC19H16FNO
Molecular Weight293.34 g/mol
Exact Mass293.12
IUPAC Namediphenylmethanone;4-fluoroaniline
SMILESNc1ccc(F)cc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C6H6FN/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-5-1-3-6(8)4-2-5/h1-10H;1-4H,8H2
InChIKeyFWZYOCKRIKUPLL-UHFFFAOYSA-N
XLogP4.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-aminophenyl)-phenylmethanone
CID 14346
(4-fluorophenyl)-phenylmethanone
CID 161464622
diphenylmethanone
CID 3102
adamantane;(4-fluorophenyl)-phenylmethanone
CID 174728613
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
(3-aminophenyl)-phenylmethanone
CID 17817
2,3-dichlorobut-2-enedioic acid;bis(4-fluoroaniline)
CID 173455202
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971

Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;4-fluoroaniline?
The IUPAC name of diphenylmethanone;4-fluoroaniline (CID 174706224) is diphenylmethanone;4-fluoroaniline.
What is the SMILES notation for diphenylmethanone;4-fluoroaniline?
The canonical SMILES for diphenylmethanone;4-fluoroaniline is Nc1ccc(F)cc1.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanone;4-fluoroaniline?
The InChIKey is FWZYOCKRIKUPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C6H6FN/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-5-1-3-6(8)4-2-5/h1-10H;1-4H,8H2.
What are the key properties of diphenylmethanone;4-fluoroaniline?
diphenylmethanone;4-fluoroaniline has a molecular weight of 293.34 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;4-fluoroaniline is sourced from PubChem (CID 174706224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).