benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene

C26H31F2NO — CID 170633594

IUPACbenzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene
SMILESCC.CCCc1ccc(F)cc1.O=C1CCN1c1ccc(F)cc1.c1ccccc1
InChIInChI=1S/C9H8FNO.C9H11F.C6H6.C2H6/c10-7-1-3-8(4-2-7)11-6-5-9(11)12;1-2-3-8-4-6-9(10)7-5-8;1-2-4-6-5-3-1;1-2/h1-4H,5-6H2;4-7H,2-3H2,1H3;1-6H;1-2H3
InChIKeyJSSJBWAJPGOFFY-UHFFFAOYSA-N
MW411.54 g/mol
LogP7.05
Rot. Bonds3

About benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene

benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene (PubChem CID 170633594) has the molecular formula C26H31F2NO and a molecular weight of 411.54 g/mol. Its IUPAC name is benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene.

Molecular Properties

Compound Namebenzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene
PubChem CID170633594
Molecular FormulaC26H31F2NO
Molecular Weight411.54 g/mol
Exact Mass411.24
IUPAC Namebenzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene
SMILESCC.CCCc1ccc(F)cc1.O=C1CCN1c1ccc(F)cc1.c1ccccc1
InChIInChI=1S/C9H8FNO.C9H11F.C6H6.C2H6/c10-7-1-3-8(4-2-7)11-6-5-9(11)12;1-2-3-8-4-6-9(10)7-5-8;1-2-4-6-5-3-1;1-2/h1-4H,5-6H2;4-7H,2-3H2,1H3;1-6H;1-2H3
InChIKeyJSSJBWAJPGOFFY-UHFFFAOYSA-N
XLogP7.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.54
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-propylbenzene
CID 2737505
3-cyclopropyl-1-(4-propylphenyl)-1,4-diazepane-2,5-dione
CID 64960791
3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione
CID 60835786
1-(4-propylphenyl)imidazolidine-2,4-dione
CID 79777361
3-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 8589520
4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one
CID 171834808
1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione
CID 66579436
2-(4-fluorophenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687249
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
1-(4-butylphenyl)-2-sulfanylidene-1,3-diazinan-4-one
CID 76943148
1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one
CID 71583395

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene?
The IUPAC name of benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene (CID 170633594) is benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene.
What is the SMILES notation for benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene?
The canonical SMILES for benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene is CC.CCCc1ccc(F)cc1.O=C1CCN1c1ccc(F)cc1.c1ccccc1.
What is the InChIKey of benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene?
The InChIKey is JSSJBWAJPGOFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO.C9H11F.C6H6.C2H6/c10-7-1-3-8(4-2-7)11-6-5-9(11)12;1-2-3-8-4-6-9(10)7-5-8;1-2-4-6-5-3-1;1-2/h1-4H,5-6H2;4-7H,2-3H2,1H3;1-6H;1-2H3.
What are the key properties of benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene?
benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene has a molecular weight of 411.54 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene is sourced from PubChem (CID 170633594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).