fluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate

C14H8F4O3S — CID 69186950

IUPACfluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate
SMILESO=C(OF)c1ccccc1Sc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H8F4O3S/c15-14(16,17)20-9-5-7-10(8-6-9)22-12-4-2-1-3-11(12)13(19)21-18/h1-8H
InChIKeyKAKLWRINPVQSSH-UHFFFAOYSA-N
MW332.27 g/mol
LogP4.78
Rot. Bonds4

About fluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate

fluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate (PubChem CID 69186950) has the molecular formula C14H8F4O3S and a molecular weight of 332.27 g/mol. Its IUPAC name is fluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate.

Molecular Properties

Compound Namefluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate
PubChem CID69186950
Molecular FormulaC14H8F4O3S
Molecular Weight332.27 g/mol
Exact Mass332.01
IUPAC Namefluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate
SMILESO=C(OF)c1ccccc1Sc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H8F4O3S/c15-14(16,17)20-9-5-7-10(8-6-9)22-12-4-2-1-3-11(12)13(19)21-18/h1-8H
InChIKeyKAKLWRINPVQSSH-UHFFFAOYSA-N
XLogP4.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole
CID 102584538
1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene
CID 86088132
4-[4-(trifluoromethoxy)phenyl]sulfanylbenzenethiol
CID 177164291
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone
CID 170761962
bis[2-(4-aminophenyl)sulfanylphenyl]methanone
CID 67895042
1-(1,2,3,3,3-pentafluoro-1-phenoxypropoxy)-4-[4-(1,2,3,3,3-pentafluoro-1-phenoxypropoxy)phenyl]sulfanylbenzene
CID 19821208
trifluoromethoxybenzene
CID 157402708
1-(disulfanyl)-4-(trifluoromethoxy)benzene
CID 87458769
S-[4-(trifluoromethoxy)phenyl]thiohydroxylamine
CID 87768766
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzoic acid;hydrochloride
CID 171246757
3-[4-[4-(2,3-dicarboxyphenyl)sulfanylphenoxy]phenyl]sulfanylphthalic acid
CID 21434742
[4-(4-nitrophenoxy)phenyl]methyl 2-(4-nitrophenyl)sulfanylbenzoate
CID 126182739

Frequently Asked Questions

What is the IUPAC name of fluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate?
The IUPAC name of fluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate (CID 69186950) is fluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate.
What is the SMILES notation for fluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate?
The canonical SMILES for fluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate is O=C(OF)c1ccccc1Sc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of fluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate?
The InChIKey is KAKLWRINPVQSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O3S/c15-14(16,17)20-9-5-7-10(8-6-9)22-12-4-2-1-3-11(12)13(19)21-18/h1-8H.
What are the key properties of fluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate?
fluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate has a molecular weight of 332.27 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate is sourced from PubChem (CID 69186950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).