N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide

C9H13F2NO — CID 103515679

IUPACN-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
SMILESO=C(NCC1CC=CCC1)C(F)F
InChIInChI=1S/C9H13F2NO/c10-8(11)9(13)12-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2,(H,12,13)
InChIKeyRQXPAESOIJAOPU-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.72
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide

N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide (PubChem CID 103515679) has the molecular formula C9H13F2NO and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
PubChem CID103515679
Molecular FormulaC9H13F2NO
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
SMILESO=C(NCC1CC=CCC1)C(F)F
InChIInChI=1S/C9H13F2NO/c10-8(11)9(13)12-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2,(H,12,13)
InChIKeyRQXPAESOIJAOPU-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.72
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-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid
CID 64888191
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methylpentanamide
CID 104684940
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281
(2R)-2-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylsulfanylbutanamide
CID 104908311
methyl 2-(cyclohex-3-en-1-ylmethylamino)-2-oxoacetate
CID 112617086
N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide
CID 126790248
2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 115287121
1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
CID 89090826
2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115587189
(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide
CID 103838457
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide
CID 113304561

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide (CID 103515679) is N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide is O=C(NCC1CC=CCC1)C(F)F.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide?
The InChIKey is RQXPAESOIJAOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c10-8(11)9(13)12-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2,(H,12,13).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide?
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide has a molecular weight of 189.21 g/mol, XLogP of 1.72, 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)-2,2-difluoroacetamide is sourced from PubChem (CID 103515679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).