[4-(trifluoromethylsulfanyl)phenyl]carbamic acid

C8H6F3NO2S — CID 146357026

IUPAC[4-(trifluoromethylsulfanyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C8H6F3NO2S/c9-8(10,11)15-6-3-1-5(2-4-6)12-7(13)14/h1-4,12H,(H,13,14)
InChIKeyUTHHMDCURQWTRY-UHFFFAOYSA-N
MW237.20 g/mol
LogP3.39
Rot. Bonds2

About [4-(trifluoromethylsulfanyl)phenyl]carbamic acid

[4-(trifluoromethylsulfanyl)phenyl]carbamic acid (PubChem CID 146357026) has the molecular formula C8H6F3NO2S and a molecular weight of 237.20 g/mol. Its IUPAC name is [4-(trifluoromethylsulfanyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(trifluoromethylsulfanyl)phenyl]carbamic acid
PubChem CID146357026
Molecular FormulaC8H6F3NO2S
Molecular Weight237.20 g/mol
Exact Mass237.01
IUPAC Name[4-(trifluoromethylsulfanyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C8H6F3NO2S/c9-8(10,11)15-6-3-1-5(2-4-6)12-7(13)14/h1-4,12H,(H,13,14)
InChIKeyUTHHMDCURQWTRY-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid
CID 699500
2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60843073
2-methoxy-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60719081
3-chloro-2,2-dimethyl-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide
CID 63680173
1-[4-(trifluoromethylsulfanyl)phenyl]-3-(3,4,5-trifluorophenyl)urea
CID 71568663
2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 79286741
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052
2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60850132
N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide
CID 162538856
2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide
CID 79796566
2-methyl-2-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]propanoate
CID 86595327
5-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pentanamide
CID 43699502

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethylsulfanyl)phenyl]carbamic acid?
The IUPAC name of [4-(trifluoromethylsulfanyl)phenyl]carbamic acid (CID 146357026) is [4-(trifluoromethylsulfanyl)phenyl]carbamic acid.
What is the SMILES notation for [4-(trifluoromethylsulfanyl)phenyl]carbamic acid?
The canonical SMILES for [4-(trifluoromethylsulfanyl)phenyl]carbamic acid is O=C(O)Nc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethylsulfanyl)phenyl]carbamic acid?
The InChIKey is UTHHMDCURQWTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2S/c9-8(10,11)15-6-3-1-5(2-4-6)12-7(13)14/h1-4,12H,(H,13,14).
What are the key properties of [4-(trifluoromethylsulfanyl)phenyl]carbamic acid?
[4-(trifluoromethylsulfanyl)phenyl]carbamic acid has a molecular weight of 237.20 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethylsulfanyl)phenyl]carbamic acid is sourced from PubChem (CID 146357026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).