N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide

C10H12FNO — CID 143385226

IUPACN-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide
SMILESCC(=O)NCC1=CC=CC(F)=CC1
InChIInChI=1S/C10H12FNO/c1-8(13)12-7-9-3-2-4-10(11)6-5-9/h2-4,6H,5,7H2,1H3,(H,12,13)
InChIKeyCYWCOSZFBOGMLZ-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.86
Rot. Bonds2

About N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide

N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide (PubChem CID 143385226) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide
PubChem CID143385226
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC NameN-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide
SMILESCC(=O)NCC1=CC=CC(F)=CC1
InChIInChI=1S/C10H12FNO/c1-8(13)12-7-9-3-2-4-10(11)6-5-9/h2-4,6H,5,7H2,1H3,(H,12,13)
InChIKeyCYWCOSZFBOGMLZ-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Acetamidomethyl)cyclopentadiene
CID 13311389
N-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]acetamide
CID 68027847
N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide
CID 88935026
N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide
CID 89073491
N-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073501
N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]acetamide
CID 89073525
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073535
N-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide
CID 89073584
N-[(4Z,6E)-7-bromo-3-methylideneocta-4,6-dienyl]-2,2,2-trifluoroacetamide
CID 117633986
N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide
CID 121322277
N-[(5Z,7E)-7-fluoro-9-(methylamino)nona-5,7-dienyl]acetamide
CID 121336103
3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide
CID 123441843

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide?
The IUPAC name of N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide (CID 143385226) is N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide?
The canonical SMILES for N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide is CC(=O)NCC1=CC=CC(F)=CC1.
What is the InChIKey of N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide?
The InChIKey is CYWCOSZFBOGMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-8(13)12-7-9-3-2-4-10(11)6-5-9/h2-4,6H,5,7H2,1H3,(H,12,13).
What are the key properties of N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide?
N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide has a molecular weight of 181.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]acetamide is sourced from PubChem (CID 143385226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).