1-benzylsulfanyl-4-(difluoromethyl)benzene

C14H12F2S — CID 139404408

IUPAC1-benzylsulfanyl-4-(difluoromethyl)benzene
SMILESFC(F)c1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C14H12F2S/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeySLCLLPFHNLGZOO-UHFFFAOYSA-N
MW250.31 g/mol
LogP4.92
Rot. Bonds4

About 1-benzylsulfanyl-4-(difluoromethyl)benzene

1-benzylsulfanyl-4-(difluoromethyl)benzene (PubChem CID 139404408) has the molecular formula C14H12F2S and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-benzylsulfanyl-4-(difluoromethyl)benzene.

Molecular Properties

Compound Name1-benzylsulfanyl-4-(difluoromethyl)benzene
PubChem CID139404408
Molecular FormulaC14H12F2S
Molecular Weight250.31 g/mol
Exact Mass250.06
IUPAC Name1-benzylsulfanyl-4-(difluoromethyl)benzene
SMILESFC(F)c1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C14H12F2S/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeySLCLLPFHNLGZOO-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzylsulfanyl-4-(4-benzylsulfanylphenyl)sulfanylbenzene
CID 3090418
1-benzylsulfanyl-4-methylbenzene
CID 10940369
1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449
1-benzylsulfanyl-4-(2-chloro-2-nitrosoethyl)benzene
CID 91396767
[fluoro(fluoro)methyl]benzene
CID 146164458
1-[4-(difluoromethyl)phenyl]-2-phenylethanol
CID 115524931
3-(4-benzylsulfanylphenyl)propan-1-ol
CID 156821984
S-(4-benzylsulfanylphenyl) carbamothioate
CID 145451020
3-(4-benzylsulfanylphenyl)prop-1-en-2-amine
CID 166885881
[4-(phenylsulfanylmethyl)phenyl]methanol
CID 59255239
5-benzylsulfanyl-1-(1-fluoroethyl)indazole
CID 156875685
[4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane
CID 174063688

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfanyl-4-(difluoromethyl)benzene?
The IUPAC name of 1-benzylsulfanyl-4-(difluoromethyl)benzene (CID 139404408) is 1-benzylsulfanyl-4-(difluoromethyl)benzene.
What is the SMILES notation for 1-benzylsulfanyl-4-(difluoromethyl)benzene?
The canonical SMILES for 1-benzylsulfanyl-4-(difluoromethyl)benzene is FC(F)c1ccc(SCc2ccccc2)cc1.
What is the InChIKey of 1-benzylsulfanyl-4-(difluoromethyl)benzene?
The InChIKey is SLCLLPFHNLGZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2S/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,14H,10H2.
What are the key properties of 1-benzylsulfanyl-4-(difluoromethyl)benzene?
1-benzylsulfanyl-4-(difluoromethyl)benzene has a molecular weight of 250.31 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfanyl-4-(difluoromethyl)benzene is sourced from PubChem (CID 139404408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).