N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide

C9H9F2NOS — CID 126777754

IUPACN-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide
SMILESO=C(NC1(C(F)F)CC1)c1ccsc1
InChIInChI=1S/C9H9F2NOS/c10-8(11)9(2-3-9)12-7(13)6-1-4-14-5-6/h1,4-5,8H,2-3H2,(H,12,13)
InChIKeyWTKBPGRPHORADK-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.28
Rot. Bonds3

About N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide

N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide (PubChem CID 126777754) has the molecular formula C9H9F2NOS and a molecular weight of 217.24 g/mol. Its IUPAC name is N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide
PubChem CID126777754
Molecular FormulaC9H9F2NOS
Molecular Weight217.24 g/mol
Exact Mass217.04
IUPAC NameN-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide
SMILESO=C(NC1(C(F)F)CC1)c1ccsc1
InChIInChI=1S/C9H9F2NOS/c10-8(11)9(2-3-9)12-7(13)6-1-4-14-5-6/h1,4-5,8H,2-3H2,(H,12,13)
InChIKeyWTKBPGRPHORADK-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide (CID 126777754) is N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide is O=C(NC1(C(F)F)CC1)c1ccsc1.
What is the InChIKey of N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide?
The InChIKey is WTKBPGRPHORADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NOS/c10-8(11)9(2-3-9)12-7(13)6-1-4-14-5-6/h1,4-5,8H,2-3H2,(H,12,13).
What are the key properties of N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide?
N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide has a molecular weight of 217.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 126777754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).