[4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone

C20H14FNO2 — CID 95049071

IUPAC[4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone
SMILESO=N[C@@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H14FNO2/c21-18-12-10-15(11-13-18)19(22-24)14-6-8-17(9-7-14)20(23)16-4-2-1-3-5-16/h1-13,19H/t19-/m1/s1
InChIKeyVGJRZAPBVFHVCC-LJQANCHMSA-N
MW319.33 g/mol
LogP4.91
Rot. Bonds5

About [4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone

[4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone (PubChem CID 95049071) has the molecular formula C20H14FNO2 and a molecular weight of 319.33 g/mol. Its IUPAC name is [4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone
PubChem CID95049071
Molecular FormulaC20H14FNO2
Molecular Weight319.33 g/mol
Exact Mass319.10
IUPAC Name[4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone
SMILESO=N[C@@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H14FNO2/c21-18-12-10-15(11-13-18)19(22-24)14-6-8-17(9-7-14)20(23)16-4-2-1-3-5-16/h1-13,19H/t19-/m1/s1
InChIKeyVGJRZAPBVFHVCC-LJQANCHMSA-N
XLogP4.91
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-phenylmethanone
CID 161464622
adamantane;(4-fluorophenyl)-phenylmethanone
CID 174728613
diphenylmethanone;4-fluoroaniline
CID 174706224
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone
CID 3102
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
(2S,3S)-2-bromo-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 46868148
(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 134967315
1,4-bis(4-fluorophenyl)-2,3-diphenylbutane-1,4-dione
CID 70902431
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468

Frequently Asked Questions

What is the IUPAC name of [4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone (CID 95049071) is [4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone is O=N[C@@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone?
The InChIKey is VGJRZAPBVFHVCC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H14FNO2/c21-18-12-10-15(11-13-18)19(22-24)14-6-8-17(9-7-14)20(23)16-4-2-1-3-5-16/h1-13,19H/t19-/m1/s1.
What are the key properties of [4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone?
[4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone has a molecular weight of 319.33 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone is sourced from PubChem (CID 95049071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).