(2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid

C15H14F3NO4S — CID 175788644

IUPAC(2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid
SMILESCc1ccc(C(F)(F)F)cc1C(=O)O.Cc1sccc1OC(N)=O
InChIInChI=1S/C9H7F3O2.C6H7NO2S/c1-5-2-3-6(9(10,11)12)4-7(5)8(13)14;1-4-5(2-3-10-4)9-6(7)8/h2-4H,1H3,(H,13,14);2-3H,1H3,(H2,7,8)
InChIKeyABNNEJCEEUYQER-UHFFFAOYSA-N
MW361.34 g/mol
LogP4.23
Rot. Bonds2

About (2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid

(2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid (PubChem CID 175788644) has the molecular formula C15H14F3NO4S and a molecular weight of 361.34 g/mol. Its IUPAC name is (2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name(2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid
PubChem CID175788644
Molecular FormulaC15H14F3NO4S
Molecular Weight361.34 g/mol
Exact Mass361.06
IUPAC Name(2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid
SMILESCc1ccc(C(F)(F)F)cc1C(=O)O.Cc1sccc1OC(N)=O
InChIInChI=1S/C9H7F3O2.C6H7NO2S/c1-5-2-3-6(9(10,11)12)4-7(5)8(13)14;1-4-5(2-3-10-4)9-6(7)8/h2-4H,1H3,(H,13,14);2-3H,1H3,(H2,7,8)
InChIKeyABNNEJCEEUYQER-UHFFFAOYSA-N
XLogP4.23
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylthiophen-3-yl) carbamate
CID 175339056
5-(2-fluoropropan-2-yl)-2-methylbenzoic acid
CID 84666856
2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 102755397
[2-tert-butyl-5-(trifluoromethyl)phenyl] carbamate
CID 151784104
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid
CID 167714402
2-amino-3-methyl-5-(trifluoromethyl)benzoic acid
CID 122548214
2-methyl-5-thiophen-2-ylbenzoic acid
CID 65309680
(2-methylthiophen-3-yl) methylsulfanylformate
CID 59552954
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
CID 67052472

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid?
The IUPAC name of (2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid (CID 175788644) is (2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for (2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for (2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid is Cc1ccc(C(F)(F)F)cc1C(=O)O.Cc1sccc1OC(N)=O.
What is the InChIKey of (2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid?
The InChIKey is ABNNEJCEEUYQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2.C6H7NO2S/c1-5-2-3-6(9(10,11)12)4-7(5)8(13)14;1-4-5(2-3-10-4)9-6(7)8/h2-4H,1H3,(H,13,14);2-3H,1H3,(H2,7,8).
What are the key properties of (2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid?
(2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid has a molecular weight of 361.34 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 175788644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).