methyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid

C13H16F3NO2S — CID 174675613

IUPACmethyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid
SMILESCN(C(=O)O)C1CCC(c2sccc2C(F)(F)F)CC1
InChIInChI=1S/C13H16F3NO2S/c1-17(12(18)19)9-4-2-8(3-5-9)11-10(6-7-20-11)13(14,15)16/h6-9H,2-5H2,1H3,(H,18,19)
InChIKeyYZZCYDXTHLYYSE-UHFFFAOYSA-N
MW307.34 g/mol
LogP4.40
Rot. Bonds2

About methyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid

methyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid (PubChem CID 174675613) has the molecular formula C13H16F3NO2S and a molecular weight of 307.34 g/mol. Its IUPAC name is methyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid
PubChem CID174675613
Molecular FormulaC13H16F3NO2S
Molecular Weight307.34 g/mol
Exact Mass307.09
IUPAC Namemethyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid
SMILESCN(C(=O)O)C1CCC(c2sccc2C(F)(F)F)CC1
InChIInChI=1S/C13H16F3NO2S/c1-17(12(18)19)9-4-2-8(3-5-9)11-10(6-7-20-11)13(14,15)16/h6-9H,2-5H2,1H3,(H,18,19)
InChIKeyYZZCYDXTHLYYSE-UHFFFAOYSA-N
XLogP4.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Fluorophenyl)ethyl-[(3-methylthiophen-2-yl)methyl]carbamic acid
CID 68906190
4-[3-(Trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid
CID 174663853
4-[5-(trifluoromethyl)thiophen-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 176274821
Methyl-[1-(trifluoromethyl)-4,5,6,7-tetrahydro-2-benzothiophen-5-yl]carbamic acid
CID 176348427
4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149838
Ethyl-[2-(4-thiophen-3-ylphenyl)propyl]carbamic acid
CID 54172495
2-Methylpropyl-[2-(4-thiophen-3-ylphenyl)propyl]carbamic acid
CID 54280590
(2R,4R)-2-methyl-4-(thiophen-2-ylmethyl)pyrrolidine-1-carboxylic acid
CID 57073182
Amino 2-methyl-3-(3-methylthiophen-2-yl)piperidine-1-carboxylate
CID 68985013
4-(4-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 117839851
4-(5-methylthiophen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 117839857
4-Amino-3-(3-methylthiophen-2-yl)piperidine-1-carboxylic acid
CID 87627556

Frequently Asked Questions

What is the IUPAC name of methyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid?
The IUPAC name of methyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid (CID 174675613) is methyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid.
What is the SMILES notation for methyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid?
The canonical SMILES for methyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid is CN(C(=O)O)C1CCC(c2sccc2C(F)(F)F)CC1.
What is the InChIKey of methyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid?
The InChIKey is YZZCYDXTHLYYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2S/c1-17(12(18)19)9-4-2-8(3-5-9)11-10(6-7-20-11)13(14,15)16/h6-9H,2-5H2,1H3,(H,18,19).
What are the key properties of methyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid?
methyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid has a molecular weight of 307.34 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid is sourced from PubChem (CID 174675613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).