1-fluoro-4-(trifluoromethylsulfanylmethyl)benzene

C8H6F4S — CID 166440250

IUPAC1-fluoro-4-(trifluoromethylsulfanylmethyl)benzene
SMILESFc1ccc(CSC(F)(F)F)cc1
InChIInChI=1S/C8H6F4S/c9-7-3-1-6(2-4-7)5-13-8(10,11)12/h1-4H,5H2
InChIKeyDGIVQDXTNBVFQN-UHFFFAOYSA-N
MW210.20 g/mol
LogP3.58
Rot. Bonds2

About 1-fluoro-4-(trifluoromethylsulfanylmethyl)benzene

1-fluoro-4-(trifluoromethylsulfanylmethyl)benzene (PubChem CID 166440250) has the molecular formula C8H6F4S and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-fluoro-4-(trifluoromethylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(trifluoromethylsulfanylmethyl)benzene
PubChem CID166440250
Molecular FormulaC8H6F4S
Molecular Weight210.20 g/mol
Exact Mass210.01
IUPAC Name1-fluoro-4-(trifluoromethylsulfanylmethyl)benzene
SMILESFc1ccc(CSC(F)(F)F)cc1
InChIInChI=1S/C8H6F4S/c9-7-3-1-6(2-4-7)5-13-8(10,11)12/h1-4H,5H2
InChIKeyDGIVQDXTNBVFQN-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-fluorophenyl)methylsulfanylmethyl]aniline
CID 82177943
1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene
CID 139245533
1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane
CID 160651614
2-[(4-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 21215197
1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene
CID 59882027
1-fluoro-4-(2,2,3-trimethylbutyl)benzene
CID 59019242
(4-fluorophenyl)methylsulfanyl hydrogen sulfate
CID 23326308
tris(4-fluorophenyl)-tris(4-fluorophenyl)silylsilane
CID 139653647
sodium 1-ethyl-4-fluorobenzene
CID 174390986
lithium (4-fluorophenyl)methanethiolate
CID 23688006
1,4-difluorobenzene bromide
CID 21301175
N-tert-butyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 28579550

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(trifluoromethylsulfanylmethyl)benzene?
The IUPAC name of 1-fluoro-4-(trifluoromethylsulfanylmethyl)benzene (CID 166440250) is 1-fluoro-4-(trifluoromethylsulfanylmethyl)benzene.
What is the SMILES notation for 1-fluoro-4-(trifluoromethylsulfanylmethyl)benzene?
The canonical SMILES for 1-fluoro-4-(trifluoromethylsulfanylmethyl)benzene is Fc1ccc(CSC(F)(F)F)cc1.
What is the InChIKey of 1-fluoro-4-(trifluoromethylsulfanylmethyl)benzene?
The InChIKey is DGIVQDXTNBVFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4S/c9-7-3-1-6(2-4-7)5-13-8(10,11)12/h1-4H,5H2.
What are the key properties of 1-fluoro-4-(trifluoromethylsulfanylmethyl)benzene?
1-fluoro-4-(trifluoromethylsulfanylmethyl)benzene has a molecular weight of 210.20 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(trifluoromethylsulfanylmethyl)benzene is sourced from PubChem (CID 166440250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).