N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide

C7H6BrF2NOS — CID 103513835

IUPACN-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide
SMILESO=C(NCc1ccc(Br)s1)C(F)F
InChIInChI=1S/C7H6BrF2NOS/c8-5-2-1-4(13-5)3-11-7(12)6(9)10/h1-2,6H,3H2,(H,11,12)
InChIKeyQVKLEAQZDWOGLH-UHFFFAOYSA-N
MW270.10 g/mol
LogP2.39
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide

N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide (PubChem CID 103513835) has the molecular formula C7H6BrF2NOS and a molecular weight of 270.10 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide
PubChem CID103513835
Molecular FormulaC7H6BrF2NOS
Molecular Weight270.10 g/mol
Exact Mass268.93
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide
SMILESO=C(NCc1ccc(Br)s1)C(F)F
InChIInChI=1S/C7H6BrF2NOS/c8-5-2-1-4(13-5)3-11-7(12)6(9)10/h1-2,6H,3H2,(H,11,12)
InChIKeyQVKLEAQZDWOGLH-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Bromo-N-[(thiophen-2-yl)methyl]acetamide
CID 16641278
5-bromo-N-ethylthiophene-2-carboxamide
CID 17148841
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride
CID 91663076
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
3,3,3-trifluoro-N-(thiophen-2-ylmethyl)propanamide
CID 45808089
2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 3327556
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 58458778
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 59781614
5-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 60630264
2,2,2-trifluoro-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62727313
4-Bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 139023326
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide (CID 103513835) is N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide is O=C(NCc1ccc(Br)s1)C(F)F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide?
The InChIKey is QVKLEAQZDWOGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NOS/c8-5-2-1-4(13-5)3-11-7(12)6(9)10/h1-2,6H,3H2,(H,11,12).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide?
N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide has a molecular weight of 270.10 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103513835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).