[(3-fluorophenyl)-thiophen-3-ylmethyl]carbamic acid

C12H10FNO2S — CID 91096527

IUPAC[(3-fluorophenyl)-thiophen-3-ylmethyl]carbamic acid
SMILESO=C(O)NC(c1ccsc1)c1cccc(F)c1
InChIInChI=1S/C12H10FNO2S/c13-10-3-1-2-8(6-10)11(14-12(15)16)9-4-5-17-7-9/h1-7,11,14H,(H,15,16)
InChIKeyCFJOYYSARNZGTP-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.24
Rot. Bonds3

About [(3-fluorophenyl)-thiophen-3-ylmethyl]carbamic acid

[(3-fluorophenyl)-thiophen-3-ylmethyl]carbamic acid (PubChem CID 91096527) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is [(3-fluorophenyl)-thiophen-3-ylmethyl]carbamic acid.

Molecular Properties

Compound Name[(3-fluorophenyl)-thiophen-3-ylmethyl]carbamic acid
PubChem CID91096527
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name[(3-fluorophenyl)-thiophen-3-ylmethyl]carbamic acid
SMILESO=C(O)NC(c1ccsc1)c1cccc(F)c1
InChIInChI=1S/C12H10FNO2S/c13-10-3-1-2-8(6-10)11(14-12(15)16)9-4-5-17-7-9/h1-7,11,14H,(H,15,16)
InChIKeyCFJOYYSARNZGTP-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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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-thiophen-3-ylacetamide
CID 4878729
2-[(4-fluorobenzyl)thio]-N-(thien-2-ylmethyl)acetamide
CID 5045378
2-Thenylamine, N-(alpha-methylphenethyl)-, acetate, (+)-
CID 121570
Acetamide, N-(2-phenyl-1-(2-thienyl)ethyl)-
CID 3061995
2-Thenylamine, alpha-(m-fluorobenzyl)-N-isopropyl-, hydrochloride
CID 3062016
N-Ethyl-2-(4-fluorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062020
2-Thenylamine, alpha-(p-fluorobenzyl)-N-isopropyl-, hydrochloride
CID 3062022
1-[(2,5-Difluorophenyl)methyl]-3-(2-thiophen-2-ylethyl)urea
CID 3522094
N1-(4-fluorobenzyl)-N2-(thiophen-3-ylmethyl)oxalamide
CID 25868765
1-Butyl-3-[(4-fluorophenyl)-thiophen-2-ylmethyl]urea
CID 45846599
2-[2-[[1-(3-Methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 72130660
1-(4-Fluorobenzyl)-3-(thiophen-3-ylmethyl)urea
CID 45559790

Frequently Asked Questions

What is the IUPAC name of [(3-fluorophenyl)-thiophen-3-ylmethyl]carbamic acid?
The IUPAC name of [(3-fluorophenyl)-thiophen-3-ylmethyl]carbamic acid (CID 91096527) is [(3-fluorophenyl)-thiophen-3-ylmethyl]carbamic acid.
What is the SMILES notation for [(3-fluorophenyl)-thiophen-3-ylmethyl]carbamic acid?
The canonical SMILES for [(3-fluorophenyl)-thiophen-3-ylmethyl]carbamic acid is O=C(O)NC(c1ccsc1)c1cccc(F)c1.
What is the InChIKey of [(3-fluorophenyl)-thiophen-3-ylmethyl]carbamic acid?
The InChIKey is CFJOYYSARNZGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c13-10-3-1-2-8(6-10)11(14-12(15)16)9-4-5-17-7-9/h1-7,11,14H,(H,15,16).
What are the key properties of [(3-fluorophenyl)-thiophen-3-ylmethyl]carbamic acid?
[(3-fluorophenyl)-thiophen-3-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 [(3-fluorophenyl)-thiophen-3-ylmethyl]carbamic acid is sourced from PubChem (CID 91096527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).