[(2-fluorophenyl)-thiophen-2-ylmethyl]carbamic acid

C12H10FNO2S — CID 90860633

IUPAC[(2-fluorophenyl)-thiophen-2-ylmethyl]carbamic acid
SMILESO=C(O)NC(c1cccs1)c1ccccc1F
InChIInChI=1S/C12H10FNO2S/c13-9-5-2-1-4-8(9)11(14-12(15)16)10-6-3-7-17-10/h1-7,11,14H,(H,15,16)
InChIKeyUDCLEFHGRFZEDO-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.24
Rot. Bonds3

About [(2-fluorophenyl)-thiophen-2-ylmethyl]carbamic acid

[(2-fluorophenyl)-thiophen-2-ylmethyl]carbamic acid (PubChem CID 90860633) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is [(2-fluorophenyl)-thiophen-2-ylmethyl]carbamic acid.

Molecular Properties

Compound Name[(2-fluorophenyl)-thiophen-2-ylmethyl]carbamic acid
PubChem CID90860633
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name[(2-fluorophenyl)-thiophen-2-ylmethyl]carbamic acid
SMILESO=C(O)NC(c1cccs1)c1ccccc1F
InChIInChI=1S/C12H10FNO2S/c13-9-5-2-1-4-8(9)11(14-12(15)16)10-6-3-7-17-10/h1-7,11,14H,(H,15,16)
InChIKeyUDCLEFHGRFZEDO-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2-fluorophenyl)-thiophen-2-ylmethyl]carbamic acid?
The IUPAC name of [(2-fluorophenyl)-thiophen-2-ylmethyl]carbamic acid (CID 90860633) is [(2-fluorophenyl)-thiophen-2-ylmethyl]carbamic acid.
What is the SMILES notation for [(2-fluorophenyl)-thiophen-2-ylmethyl]carbamic acid?
The canonical SMILES for [(2-fluorophenyl)-thiophen-2-ylmethyl]carbamic acid is O=C(O)NC(c1cccs1)c1ccccc1F.
What is the InChIKey of [(2-fluorophenyl)-thiophen-2-ylmethyl]carbamic acid?
The InChIKey is UDCLEFHGRFZEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c13-9-5-2-1-4-8(9)11(14-12(15)16)10-6-3-7-17-10/h1-7,11,14H,(H,15,16).
What are the key properties of [(2-fluorophenyl)-thiophen-2-ylmethyl]carbamic acid?
[(2-fluorophenyl)-thiophen-2-ylmethyl]carbamic acid has a molecular weight of 251.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluorophenyl)-thiophen-2-ylmethyl]carbamic acid is sourced from PubChem (CID 90860633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).