5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide

C9H7BrF3NOS — CID 103750205

IUPAC5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1csc(Br)c1
InChIInChI=1S/C9H7BrF3NOS/c10-6-3-5(4-16-6)7(15)14-8(1-2-8)9(11,12)13/h3-4H,1-2H2,(H,14,15)
InChIKeyLRTMVXOVBDPAEK-UHFFFAOYSA-N
MW314.13 g/mol
LogP3.34
Rot. Bonds2

About 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide

5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide (PubChem CID 103750205) has the molecular formula C9H7BrF3NOS and a molecular weight of 314.13 g/mol. Its IUPAC name is 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide
PubChem CID103750205
Molecular FormulaC9H7BrF3NOS
Molecular Weight314.13 g/mol
Exact Mass312.94
IUPAC Name5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1csc(Br)c1
InChIInChI=1S/C9H7BrF3NOS/c10-6-3-5(4-16-6)7(15)14-8(1-2-8)9(11,12)13/h3-4H,1-2H2,(H,14,15)
InChIKeyLRTMVXOVBDPAEK-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-propylthiophene-3-carboxamide
CID 40012378
N-tert-butyl-5-fluorothiophene-3-carboxamide
CID 154621469
N-(1,1,2-trifluoroethyl)thiophene-3-carboxamide
CID 173053511
5-bromo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 43424514
5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 54878193
5-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 54942221
5-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 54983606
5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 55028526
5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 60778311
5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 60955596
5-bromo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide
CID 61381337
5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide
CID 63227526

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide (CID 103750205) is 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide is O=C(NC1(C(F)(F)F)CC1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide?
The InChIKey is LRTMVXOVBDPAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NOS/c10-6-3-5(4-16-6)7(15)14-8(1-2-8)9(11,12)13/h3-4H,1-2H2,(H,14,15).
What are the key properties of 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide?
5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide has a molecular weight of 314.13 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 103750205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).