N-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide

C9H9F2NO — CID 142035875

IUPACN-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide
SMILESCC(=O)NC1=C(F)CC=C(F)C=C1
InChIInChI=1S/C9H9F2NO/c1-6(13)12-9-5-3-7(10)2-4-8(9)11/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyRNLPPHRQCPHEKL-UHFFFAOYSA-N
MW185.17 g/mol
LogP2.12
Rot. Bonds1

About N-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide

N-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide (PubChem CID 142035875) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is N-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide
PubChem CID142035875
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC NameN-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide
SMILESCC(=O)NC1=C(F)CC=C(F)C=C1
InChIInChI=1S/C9H9F2NO/c1-6(13)12-9-5-3-7(10)2-4-8(9)11/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyRNLPPHRQCPHEKL-UHFFFAOYSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide
CID 54172936
N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 89363295
N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide
CID 122651083
N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide
CID 123432723
N-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide
CID 123461324
N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide
CID 123770747
N-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide
CID 123945729
N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide
CID 129044140
N-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]acetamide
CID 135220129
2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide
CID 138502475
N-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide
CID 141975378
N-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide
CID 142113001

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide?
The IUPAC name of N-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide (CID 142035875) is N-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide.
What is the SMILES notation for N-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide?
The canonical SMILES for N-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide is CC(=O)NC1=C(F)CC=C(F)C=C1.
What is the InChIKey of N-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide?
The InChIKey is RNLPPHRQCPHEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-6(13)12-9-5-3-7(10)2-4-8(9)11/h2-3,5H,4H2,1H3,(H,12,13).
What are the key properties of N-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide?
N-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide has a molecular weight of 185.17 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide is sourced from PubChem (CID 142035875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).