2,2-difluoropropyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate

C14H14F2N2O2S — CID 89183252

IUPAC2,2-difluoropropyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESCC(F)(F)COC(=O)Nc1cc(-c2cccs2)ccc1N
InChIInChI=1S/C14H14F2N2O2S/c1-14(15,16)8-20-13(19)18-11-7-9(4-5-10(11)17)12-3-2-6-21-12/h2-7H,8,17H2,1H3,(H,18,19)
InChIKeyUSEGXUNQHIEYHD-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.20
Rot. Bonds4

About 2,2-difluoropropyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate

2,2-difluoropropyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (PubChem CID 89183252) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 2,2-difluoropropyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.

Molecular Properties

Compound Name2,2-difluoropropyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
PubChem CID89183252
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name2,2-difluoropropyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESCC(F)(F)COC(=O)Nc1cc(-c2cccs2)ccc1N
InChIInChI=1S/C14H14F2N2O2S/c1-14(15,16)8-20-13(19)18-11-7-9(4-5-10(11)17)12-3-2-6-21-12/h2-7H,8,17H2,1H3,(H,18,19)
InChIKeyUSEGXUNQHIEYHD-UHFFFAOYSA-N
XLogP4.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The IUPAC name of 2,2-difluoropropyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (CID 89183252) is 2,2-difluoropropyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.
What is the SMILES notation for 2,2-difluoropropyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The canonical SMILES for 2,2-difluoropropyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is CC(F)(F)COC(=O)Nc1cc(-c2cccs2)ccc1N.
What is the InChIKey of 2,2-difluoropropyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The InChIKey is USEGXUNQHIEYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-14(15,16)8-20-13(19)18-11-7-9(4-5-10(11)17)12-3-2-6-21-12/h2-7H,8,17H2,1H3,(H,18,19).
What are the key properties of 2,2-difluoropropyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
2,2-difluoropropyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate has a molecular weight of 312.34 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is sourced from PubChem (CID 89183252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).