(4-fluorothiophen-2-yl)methyl-methylcarbamic acid

C7H8FNO2S — CID 146570668

IUPAC(4-fluorothiophen-2-yl)methyl-methylcarbamic acid
SMILESCN(Cc1cc(F)cs1)C(=O)O
InChIInChI=1S/C7H8FNO2S/c1-9(7(10)11)3-6-2-5(8)4-12-6/h2,4H,3H2,1H3,(H,10,11)
InChIKeyZAKSWFVAIUDIHJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.00
Rot. Bonds2

About (4-fluorothiophen-2-yl)methyl-methylcarbamic acid

(4-fluorothiophen-2-yl)methyl-methylcarbamic acid (PubChem CID 146570668) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is (4-fluorothiophen-2-yl)methyl-methylcarbamic acid.

Molecular Properties

Compound Name(4-fluorothiophen-2-yl)methyl-methylcarbamic acid
PubChem CID146570668
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name(4-fluorothiophen-2-yl)methyl-methylcarbamic acid
SMILESCN(Cc1cc(F)cs1)C(=O)O
InChIInChI=1S/C7H8FNO2S/c1-9(7(10)11)3-6-2-5(8)4-12-6/h2,4H,3H2,1H3,(H,10,11)
InChIKeyZAKSWFVAIUDIHJ-UHFFFAOYSA-N
XLogP2.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
(3-Fluorothiophen-2-yl)methylcarbamic acid
CID 130345143
1-(4-fluorothiophen-2-yl)-N,N-dimethylmethanamine
CID 137443203
tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate
CID 146570715
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-propylcarbamate
CID 146612126
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
CID 151880346
N-methyl-N-(thiophen-2-ylmethyl)formamide
CID 64990486
2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 60705708
2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate
CID 60705883
2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate
CID 61481391
N-ethyl-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 62733548

Frequently Asked Questions

What is the IUPAC name of (4-fluorothiophen-2-yl)methyl-methylcarbamic acid?
The IUPAC name of (4-fluorothiophen-2-yl)methyl-methylcarbamic acid (CID 146570668) is (4-fluorothiophen-2-yl)methyl-methylcarbamic acid.
What is the SMILES notation for (4-fluorothiophen-2-yl)methyl-methylcarbamic acid?
The canonical SMILES for (4-fluorothiophen-2-yl)methyl-methylcarbamic acid is CN(Cc1cc(F)cs1)C(=O)O.
What is the InChIKey of (4-fluorothiophen-2-yl)methyl-methylcarbamic acid?
The InChIKey is ZAKSWFVAIUDIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-9(7(10)11)3-6-2-5(8)4-12-6/h2,4H,3H2,1H3,(H,10,11).
What are the key properties of (4-fluorothiophen-2-yl)methyl-methylcarbamic acid?
(4-fluorothiophen-2-yl)methyl-methylcarbamic acid has a molecular weight of 189.21 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorothiophen-2-yl)methyl-methylcarbamic acid is sourced from PubChem (CID 146570668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).