1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene

C16H16F2S — CID 66729762

IUPAC1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene
SMILESCCc1cccc(Sc2cccc(CC)c2F)c1F
InChIInChI=1S/C16H16F2S/c1-3-11-7-5-9-13(15(11)17)19-14-10-6-8-12(4-2)16(14)18/h5-10H,3-4H2,1-2H3
InChIKeyBSCGCLCPGKHJKA-UHFFFAOYSA-N
MW278.37 g/mol
LogP5.24
Rot. Bonds4

About 1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene

1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene (PubChem CID 66729762) has the molecular formula C16H16F2S and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene.

Molecular Properties

Compound Name1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene
PubChem CID66729762
Molecular FormulaC16H16F2S
Molecular Weight278.37 g/mol
Exact Mass278.09
IUPAC Name1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene
SMILESCCc1cccc(Sc2cccc(CC)c2F)c1F
InChIInChI=1S/C16H16F2S/c1-3-11-7-5-9-13(15(11)17)19-14-10-6-8-12(4-2)16(14)18/h5-10H,3-4H2,1-2H3
InChIKeyBSCGCLCPGKHJKA-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.37
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-fluoro-3-(trifluoromethylsulfanyl)benzene
CID 123730167
1-(2-chloroethyl)-3-[3-(2-chloroethyl)-2-fluorophenyl]sulfanyl-2-fluorobenzene
CID 139757847
1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
CID 19792412
1-ethyl-2-fluoro-3-propan-2-ylbenzene
CID 54146426
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
1-(2-bromoethyl)-3-ethyl-2-fluorobenzene
CID 130140887
(3-ethyl-2-fluorophenyl)hydrazine
CID 130780549
1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene
CID 130420615
1,3-diethyl-2-iodobenzene
CID 18690512
1-(3-bromopropyl)-3-ethyl-2-fluorobenzene
CID 166641849
(4-ethyl-2,3-difluorophenyl) thiohypofluorite
CID 167238139
4-(8-ethylnaphthalen-1-yl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate
CID 140660536

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene?
The IUPAC name of 1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene (CID 66729762) is 1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene.
What is the SMILES notation for 1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene?
The canonical SMILES for 1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene is CCc1cccc(Sc2cccc(CC)c2F)c1F.
What is the InChIKey of 1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene?
The InChIKey is BSCGCLCPGKHJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2S/c1-3-11-7-5-9-13(15(11)17)19-14-10-6-8-12(4-2)16(14)18/h5-10H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene?
1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene has a molecular weight of 278.37 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene is sourced from PubChem (CID 66729762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).