N-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide

C12H15F2NO — CID 142874194

IUPACN-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)CC1=CC(F)=CC(F)=CC1
InChIInChI=1S/C12H15F2NO/c1-8(15-9(2)16)5-10-3-4-11(13)7-12(14)6-10/h4,6-8H,3,5H2,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyGXSVVLYANOOWOC-MRVPVSSYSA-N
MW227.25 g/mol
LogP2.94
Rot. Bonds3

About N-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide

N-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide (PubChem CID 142874194) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide
PubChem CID142874194
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)CC1=CC(F)=CC(F)=CC1
InChIInChI=1S/C12H15F2NO/c1-8(15-9(2)16)5-10-3-4-11(13)7-12(14)6-10/h4,6-8H,3,5H2,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyGXSVVLYANOOWOC-MRVPVSSYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide
CID 11095798
N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide
CID 70261540
N-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073501
N-(3,5-difluorocyclohexa-2,4-dien-1-yl)acetamide
CID 89073531
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073535
N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide
CID 90693715
N-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide
CID 123895817
2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide
CID 134402787
N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 135220345
N-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide
CID 138564543
ethane;N-[(2S,3E,4Z)-3-ethylidene-6-methylhepta-4,6-dien-2-yl]-2,2,2-trifluoroacetamide
CID 142861213
N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide
CID 143385226

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide (CID 142874194) is N-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide is CC(=O)N[C@H](C)CC1=CC(F)=CC(F)=CC1.
What is the InChIKey of N-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide?
The InChIKey is GXSVVLYANOOWOC-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-8(15-9(2)16)5-10-3-4-11(13)7-12(14)6-10/h4,6-8H,3,5H2,1-2H3,(H,15,16)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide?
N-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide has a molecular weight of 227.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 142874194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).