2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide

C12H13F2NOS — CID 146284517

IUPAC2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cc2c(s1)CCCC2)C1CC1(F)F
InChIInChI=1S/C12H13F2NOS/c13-12(14)6-8(12)11(16)15-10-5-7-3-1-2-4-9(7)17-10/h5,8H,1-4,6H2,(H,15,16)
InChIKeyPUAORDRFHGXZLR-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.22
Rot. Bonds2

About 2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide

2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide (PubChem CID 146284517) has the molecular formula C12H13F2NOS and a molecular weight of 257.30 g/mol. Its IUPAC name is 2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide
PubChem CID146284517
Molecular FormulaC12H13F2NOS
Molecular Weight257.30 g/mol
Exact Mass257.07
IUPAC Name2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cc2c(s1)CCCC2)C1CC1(F)F
InChIInChI=1S/C12H13F2NOS/c13-12(14)6-8(12)11(16)15-10-5-7-3-1-2-4-9(7)17-10/h5,8H,1-4,6H2,(H,15,16)
InChIKeyPUAORDRFHGXZLR-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-Phenyl-2-thienyl)acetamide
CID 26880
N-(4,5,6,7-Tetrahydrobenzo(b)thien-2-yl)acetamide
CID 580749
2,2,2-trifluoro-N-{5-[2-(trifluoromethyl)phenyl]-2-thienyl}acetamide
CID 5057162
N-(Benzo[b]thiophen-2-yl)acetamide
CID 12290658
4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
CID 703968
2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide
CID 15739778
N-(1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide
CID 15739780
N-[5-(4-fluorophenyl)thiophen-2-yl]acetamide
CID 67649892
6,6-difluoro-N-(4-phenylthiophen-2-yl)hex-5-enamide
CID 69917054
2,2,2-trifluoro-N-(4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 87801550
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2,2,2-trifluoroacetamide
CID 91338575
N-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
CID 146284077

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide (CID 146284517) is 2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide is O=C(Nc1cc2c(s1)CCCC2)C1CC1(F)F.
What is the InChIKey of 2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide?
The InChIKey is PUAORDRFHGXZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NOS/c13-12(14)6-8(12)11(16)15-10-5-7-3-1-2-4-9(7)17-10/h5,8H,1-4,6H2,(H,15,16).
What are the key properties of 2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide?
2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 146284517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).