N-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide

C9H10F3NO2 — CID 143561692

IUPACN-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide
SMILESO=CNCC1=C(F)C=C(OC(F)F)CC1
InChIInChI=1S/C9H10F3NO2/c10-8-3-7(15-9(11)12)2-1-6(8)4-13-5-14/h3,5,9H,1-2,4H2,(H,13,14)
InChIKeyCKPJVJPIYFIXHB-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.87
Rot. Bonds5

About N-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide

N-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide (PubChem CID 143561692) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide
PubChem CID143561692
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC NameN-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide
SMILESO=CNCC1=C(F)C=C(OC(F)F)CC1
InChIInChI=1S/C9H10F3NO2/c10-8-3-7(15-9(11)12)2-1-6(8)4-13-5-14/h3,5,9H,1-2,4H2,(H,13,14)
InChIKeyCKPJVJPIYFIXHB-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;N-[[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methyl]formamide
CID 144278464
N-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
CID 145221898
N-[[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methyl]formamide
CID 144278465
1-[4-(difluoromethoxy)-5-methylcyclohexa-1,3-dien-1-yl]-N-methylmethanamine
CID 162594791

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide?
The IUPAC name of N-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide (CID 143561692) is N-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide is O=CNCC1=C(F)C=C(OC(F)F)CC1.
What is the InChIKey of N-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide?
The InChIKey is CKPJVJPIYFIXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c10-8-3-7(15-9(11)12)2-1-6(8)4-13-5-14/h3,5,9H,1-2,4H2,(H,13,14).
What are the key properties of N-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide?
N-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide has a molecular weight of 221.18 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-2-fluorocyclohexa-1,3-dien-1-yl]methyl]formamide is sourced from PubChem (CID 143561692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).