(4-chloro-2-fluorothiophen-3-yl) carbamate

C5H3ClFNO2S — CID 175376629

IUPAC(4-chloro-2-fluorothiophen-3-yl) carbamate
SMILESNC(=O)Oc1c(Cl)csc1F
InChIInChI=1S/C5H3ClFNO2S/c6-2-1-11-4(7)3(2)10-5(8)9/h1H,(H2,8,9)
InChIKeyAPSKYJFBPHWLHZ-UHFFFAOYSA-N
MW195.60 g/mol
LogP2.00
Rot. Bonds1

About (4-chloro-2-fluorothiophen-3-yl) carbamate

(4-chloro-2-fluorothiophen-3-yl) carbamate (PubChem CID 175376629) has the molecular formula C5H3ClFNO2S and a molecular weight of 195.60 g/mol. Its IUPAC name is (4-chloro-2-fluorothiophen-3-yl) carbamate.

Molecular Properties

Compound Name(4-chloro-2-fluorothiophen-3-yl) carbamate
PubChem CID175376629
Molecular FormulaC5H3ClFNO2S
Molecular Weight195.60 g/mol
Exact Mass194.96
IUPAC Name(4-chloro-2-fluorothiophen-3-yl) carbamate
SMILESNC(=O)Oc1c(Cl)csc1F
InChIInChI=1S/C5H3ClFNO2S/c6-2-1-11-4(7)3(2)10-5(8)9/h1H,(H2,8,9)
InChIKeyAPSKYJFBPHWLHZ-UHFFFAOYSA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.60
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorothiophen-3-yl) carbamate?
The IUPAC name of (4-chloro-2-fluorothiophen-3-yl) carbamate (CID 175376629) is (4-chloro-2-fluorothiophen-3-yl) carbamate.
What is the SMILES notation for (4-chloro-2-fluorothiophen-3-yl) carbamate?
The canonical SMILES for (4-chloro-2-fluorothiophen-3-yl) carbamate is NC(=O)Oc1c(Cl)csc1F.
What is the InChIKey of (4-chloro-2-fluorothiophen-3-yl) carbamate?
The InChIKey is APSKYJFBPHWLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClFNO2S/c6-2-1-11-4(7)3(2)10-5(8)9/h1H,(H2,8,9).
What are the key properties of (4-chloro-2-fluorothiophen-3-yl) carbamate?
(4-chloro-2-fluorothiophen-3-yl) carbamate has a molecular weight of 195.60 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorothiophen-3-yl) carbamate is sourced from PubChem (CID 175376629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).