(3-fluorothiophen-2-yl)methylcarbamic acid

C6H6FNO2S — CID 130345143

IUPAC(3-fluorothiophen-2-yl)methylcarbamic acid
SMILESO=C(O)NCc1sccc1F
InChIInChI=1S/C6H6FNO2S/c7-4-1-2-11-5(4)3-8-6(9)10/h1-2,8H,3H2,(H,9,10)
InChIKeyHPWYMQAMCWPXAA-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.65
Rot. Bonds2

About (3-fluorothiophen-2-yl)methylcarbamic acid

(3-fluorothiophen-2-yl)methylcarbamic acid (PubChem CID 130345143) has the molecular formula C6H6FNO2S and a molecular weight of 175.18 g/mol. Its IUPAC name is (3-fluorothiophen-2-yl)methylcarbamic acid.

Molecular Properties

Compound Name(3-fluorothiophen-2-yl)methylcarbamic acid
PubChem CID130345143
Molecular FormulaC6H6FNO2S
Molecular Weight175.18 g/mol
Exact Mass175.01
IUPAC Name(3-fluorothiophen-2-yl)methylcarbamic acid
SMILESO=C(O)NCc1sccc1F
InChIInChI=1S/C6H6FNO2S/c7-4-1-2-11-5(4)3-8-6(9)10/h1-2,8H,3H2,(H,9,10)
InChIKeyHPWYMQAMCWPXAA-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
Carbamic acid, 2-thenyl-, 2-hydroxyethyl ester
CID 57422
N-(thiophen-2-ylmethyl)formamide
CID 21017864
2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate
CID 9450078
2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 3327556
(5-Bromo-3-fluorothiophen-2-yl)methylcarbamic acid
CID 130344894
tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate
CID 130358243
(4-Fluorothiophen-2-yl)methyl-methylcarbamic acid
CID 146570668
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
(4-Cyano-5-fluorothiophen-2-yl)methylcarbamic acid
CID 169765609
Ethyl (thiophen-2-ylmethyl)carbamate
CID 235154
2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide
CID 103600796

Frequently Asked Questions

What is the IUPAC name of (3-fluorothiophen-2-yl)methylcarbamic acid?
The IUPAC name of (3-fluorothiophen-2-yl)methylcarbamic acid (CID 130345143) is (3-fluorothiophen-2-yl)methylcarbamic acid.
What is the SMILES notation for (3-fluorothiophen-2-yl)methylcarbamic acid?
The canonical SMILES for (3-fluorothiophen-2-yl)methylcarbamic acid is O=C(O)NCc1sccc1F.
What is the InChIKey of (3-fluorothiophen-2-yl)methylcarbamic acid?
The InChIKey is HPWYMQAMCWPXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2S/c7-4-1-2-11-5(4)3-8-6(9)10/h1-2,8H,3H2,(H,9,10).
What are the key properties of (3-fluorothiophen-2-yl)methylcarbamic acid?
(3-fluorothiophen-2-yl)methylcarbamic acid has a molecular weight of 175.18 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorothiophen-2-yl)methylcarbamic acid is sourced from PubChem (CID 130345143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).