N-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide

C10H10F3NO — CID 143683177

IUPACN-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide
SMILESO=CNCC1=CCC=C(F)C(C(F)F)=C1
InChIInChI=1S/C10H10F3NO/c11-9-3-1-2-7(5-14-6-15)4-8(9)10(12)13/h2-4,6,10H,1,5H2,(H,14,15)
InChIKeySKQJTALHRITXEA-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.11
Rot. Bonds4

About N-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide

N-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide (PubChem CID 143683177) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is N-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide
PubChem CID143683177
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide
SMILESO=CNCC1=CCC=C(F)C(C(F)F)=C1
InChIInChI=1S/C10H10F3NO/c11-9-3-1-2-7(5-14-6-15)4-8(9)10(12)13/h2-4,6,10H,1,5H2,(H,14,15)
InChIKeySKQJTALHRITXEA-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dienyl]formamide
CID 89214983
N-[[(4S)-4-fluorocyclohexa-1,5-dien-1-yl]methyl]formamide
CID 117997701
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]formamide
CID 117997713
N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide
CID 123556775
N-[(4-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 126690292
ethane;N-[(4Z,6E)-8,8,8-trifluoro-3-methylideneocta-4,6-dienyl]formamide
CID 144442015
N-[(2E,3Z)-2-butylidene-5-(trifluoromethyl)hexa-3,5-dienyl]formamide
CID 170060818
N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide
CID 171558050
N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide
CID 142104797
N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide
CID 142217537
N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]formamide
CID 142801507
N-[[3,4-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]formamide
CID 142892422

Frequently Asked Questions

What is the IUPAC name of N-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide?
The IUPAC name of N-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide (CID 143683177) is N-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide.
What is the SMILES notation for N-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide?
The canonical SMILES for N-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide is O=CNCC1=CCC=C(F)C(C(F)F)=C1.
What is the InChIKey of N-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide?
The InChIKey is SKQJTALHRITXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-9-3-1-2-7(5-14-6-15)4-8(9)10(12)13/h2-4,6,10H,1,5H2,(H,14,15).
What are the key properties of N-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide?
N-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide has a molecular weight of 217.19 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(difluoromethyl)-5-fluorocyclohepta-1,4,6-trien-1-yl]methyl]formamide is sourced from PubChem (CID 143683177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).