1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one

C16H14FNO2 — CID 141064356

IUPAC1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one
SMILESCC1(C)OC(=O)N(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H14FNO2/c1-16(2)13-5-3-4-6-14(13)18(15(19)20-16)12-9-7-11(17)8-10-12/h3-10H,1-2H3
InChIKeyMDTQEIHKKOWPNF-UHFFFAOYSA-N
MW271.29 g/mol
LogP4.35
Rot. Bonds1

About 1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one

1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one (PubChem CID 141064356) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one
PubChem CID141064356
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one
SMILESCC1(C)OC(=O)N(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H14FNO2/c1-16(2)13-5-3-4-6-14(13)18(15(19)20-16)12-9-7-11(17)8-10-12/h3-10H,1-2H3
InChIKeyMDTQEIHKKOWPNF-UHFFFAOYSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,4-trimethyl-3,1-benzoxazin-2-one
CID 30633
2-[3-(4,4-dimethyl-2-oxo-3,1-benzoxazin-1-yl)phenyl]acetonitrile
CID 54425269
10-(4-fluorophenyl)phenoxazine
CID 141389969
10'-(4-fluorophenyl)-8,8,22,22-tetramethylspiro[1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-14,9'-acridine]
CID 153311881
(2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one
CID 12067382
1-(diethoxymethyl)-4,4-dimethyl-3,1-benzoxazin-2-one
CID 141028651
(3aR,4R,7R,7aS)-2-(4-fluorophenyl)-4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 99721906
(1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 98600968
6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione
CID 118655381
3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione
CID 62817631
2'-fluoro-10,10'-bis(4-phenylphenyl)-2-(trifluoromethyl)-9,9'-spirobi[acridine]
CID 176670484
2-dibenzofuran-2-yl-10-[4-(4-fluorophenyl)phenyl]-9,9-dimethyl-7-phenylacridine
CID 71003823

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one (CID 141064356) is 1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one is CC1(C)OC(=O)N(c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one?
The InChIKey is MDTQEIHKKOWPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-16(2)13-5-3-4-6-14(13)18(15(19)20-16)12-9-7-11(17)8-10-12/h3-10H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one?
1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one has a molecular weight of 271.29 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one is sourced from PubChem (CID 141064356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).