1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene

C14H12F2OS — CID 171368097

IUPAC1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene
SMILESCSc1c(OCc2ccccc2)ccc(F)c1F
InChIInChI=1S/C14H12F2OS/c1-18-14-12(8-7-11(15)13(14)16)17-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyCICDLZQSJBGXBY-UHFFFAOYSA-N
MW266.31 g/mol
LogP4.27
Rot. Bonds4

About 1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene

1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene (PubChem CID 171368097) has the molecular formula C14H12F2OS and a molecular weight of 266.31 g/mol. Its IUPAC name is 1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene
PubChem CID171368097
Molecular FormulaC14H12F2OS
Molecular Weight266.31 g/mol
Exact Mass266.06
IUPAC Name1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene
SMILESCSc1c(OCc2ccccc2)ccc(F)c1F
InChIInChI=1S/C14H12F2OS/c1-18-14-12(8-7-11(15)13(14)16)17-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyCICDLZQSJBGXBY-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene
CID 164892505
2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene
CID 164893709
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
2-(2,3-difluoro-6-phenylmethoxyphenyl)acetamide
CID 91259658
2-(2,6-difluoro-3-phenylmethoxyphenyl)pyridine
CID 174635964
2-tert-butyl-4-methylsulfanyl-1-phenylmethoxybenzene
CID 126677080
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
3,4-difluoro-2-phenylmethoxyaniline
CID 62532181
3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline
CID 71507610
(5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol
CID 169228106
1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
CID 107693258
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene?
The IUPAC name of 1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene (CID 171368097) is 1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene.
What is the SMILES notation for 1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene?
The canonical SMILES for 1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene is CSc1c(OCc2ccccc2)ccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene?
The InChIKey is CICDLZQSJBGXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2OS/c1-18-14-12(8-7-11(15)13(14)16)17-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene?
1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene has a molecular weight of 266.31 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene is sourced from PubChem (CID 171368097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).