N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide

C12H17F2NO — CID 126790248

IUPACN-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide
SMILESO=C(NCC1CC=CCC1)C1CC(F)(F)C1
InChIInChI=1S/C12H17F2NO/c13-12(14)6-10(7-12)11(16)15-8-9-4-2-1-3-5-9/h1-2,9-10H,3-8H2,(H,15,16)
InChIKeyDBDHOFGBMCUZGL-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.50
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide

N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 126790248) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide
PubChem CID126790248
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide
SMILESO=C(NCC1CC=CCC1)C1CC(F)(F)C1
InChIInChI=1S/C12H17F2NO/c13-12(14)6-10(7-12)11(16)15-8-9-4-2-1-3-5-9/h1-2,9-10H,3-8H2,(H,15,16)
InChIKeyDBDHOFGBMCUZGL-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115572796
(3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide
CID 81140775
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 114092192
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281
methyl 2-(cyclohex-3-en-1-ylmethylamino)-2-oxoacetate
CID 112617086
1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
CID 89090826
1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide
CID 113309488
4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide
CID 102851555
2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571
methyl 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-3-fluoropyrrolidine-3-carboxylate
CID 71866434

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide (CID 126790248) is N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide is O=C(NCC1CC=CCC1)C1CC(F)(F)C1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is DBDHOFGBMCUZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c13-12(14)6-10(7-12)11(16)15-8-9-4-2-1-3-5-9/h1-2,9-10H,3-8H2,(H,15,16).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide?
N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 229.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 126790248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).