1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene

C14H10BrF3OS — CID 175784498

IUPAC1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene
SMILESO=S(Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrF3OS/c15-12-5-7-13(8-6-12)20(19)9-10-1-3-11(4-2-10)14(16,17)18/h1-8H,9H2
InChIKeyCISFPTCQCGYERS-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.78
Rot. Bonds3

About 1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene

1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene (PubChem CID 175784498) has the molecular formula C14H10BrF3OS and a molecular weight of 363.20 g/mol. Its IUPAC name is 1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene
PubChem CID175784498
Molecular FormulaC14H10BrF3OS
Molecular Weight363.20 g/mol
Exact Mass361.96
IUPAC Name1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene
SMILESO=S(Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrF3OS/c15-12-5-7-13(8-6-12)20(19)9-10-1-3-11(4-2-10)14(16,17)18/h1-8H,9H2
InChIKeyCISFPTCQCGYERS-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-bromophenyl)sulfinylmethyl]pyridine
CID 155231709
4-[(4-bromophenyl)methylsulfinyl]aniline
CID 61368304
1-tert-butyl-4-[(4-tert-butylphenyl)sulfinylmethyl]benzene
CID 102104954
1-(methylsulfinylmethyl)-4-(trifluoromethyl)benzene
CID 102532950
[4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine
CID 115478175
3-[(4-bromophenyl)methylsulfinyl]aniline
CID 81180098
4-bromo-N,N-bis[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 171614623
1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114714
1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene
CID 154330077
1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 64715017
2-[4-(trifluoromethyl)phenyl]ethanesulfinate
CID 57451399
6-chloro-2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,3-benzoxazole
CID 163212024

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene (CID 175784498) is 1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene is O=S(Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene?
The InChIKey is CISFPTCQCGYERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3OS/c15-12-5-7-13(8-6-12)20(19)9-10-1-3-11(4-2-10)14(16,17)18/h1-8H,9H2.
What are the key properties of 1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene?
1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene has a molecular weight of 363.20 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 175784498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).