1-(1,1-difluoropentylsulfinyl)-4-fluorobenzene

C11H13F3OS — CID 150861897

IUPAC1-(1,1-difluoropentylsulfinyl)-4-fluorobenzene
SMILESCCCCC(F)(F)S(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13F3OS/c1-2-3-8-11(13,14)16(15)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3
InChIKeyKSFBDMWYKVTPRT-UHFFFAOYSA-N
MW250.28 g/mol
LogP3.72
Rot. Bonds5

About 1-(1,1-difluoropentylsulfinyl)-4-fluorobenzene

1-(1,1-difluoropentylsulfinyl)-4-fluorobenzene (PubChem CID 150861897) has the molecular formula C11H13F3OS and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-(1,1-difluoropentylsulfinyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(1,1-difluoropentylsulfinyl)-4-fluorobenzene
PubChem CID150861897
Molecular FormulaC11H13F3OS
Molecular Weight250.28 g/mol
Exact Mass250.06
IUPAC Name1-(1,1-difluoropentylsulfinyl)-4-fluorobenzene
SMILESCCCCC(F)(F)S(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13F3OS/c1-2-3-8-11(13,14)16(15)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3
InChIKeyKSFBDMWYKVTPRT-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(S)-ethylsulfinyl]-4-fluorobenzene
CID 92979290
N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine
CID 64659465
ethane;1-fluoro-4-methylsulfinylbenzene
CID 144882301
2-ethyl-2-[(4-fluorophenyl)methyl]hexanoic acid
CID 62738535
ethyl 2-(4-fluorophenyl)sulfinylbutanoate
CID 64661886
1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one
CID 64635745
1-[5-(benzenesulfinyl)-5,5-difluoropentoxy]-4-chlorobenzene
CID 151713420
N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide
CID 63793163
1-fluoro-4-(2-propylsulfonylethylsulfinyl)benzene
CID 106732610
2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
CID 63792090
1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene
CID 21304853
1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 64715017

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropentylsulfinyl)-4-fluorobenzene?
The IUPAC name of 1-(1,1-difluoropentylsulfinyl)-4-fluorobenzene (CID 150861897) is 1-(1,1-difluoropentylsulfinyl)-4-fluorobenzene.
What is the SMILES notation for 1-(1,1-difluoropentylsulfinyl)-4-fluorobenzene?
The canonical SMILES for 1-(1,1-difluoropentylsulfinyl)-4-fluorobenzene is CCCCC(F)(F)S(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(1,1-difluoropentylsulfinyl)-4-fluorobenzene?
The InChIKey is KSFBDMWYKVTPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3OS/c1-2-3-8-11(13,14)16(15)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3.
What are the key properties of 1-(1,1-difluoropentylsulfinyl)-4-fluorobenzene?
1-(1,1-difluoropentylsulfinyl)-4-fluorobenzene has a molecular weight of 250.28 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropentylsulfinyl)-4-fluorobenzene is sourced from PubChem (CID 150861897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).