N-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide

C10H15F2NO2 — CID 104857134

IUPACN-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC(F)(F)CO)C1CC=CCC1
InChIInChI=1S/C10H15F2NO2/c11-10(12,7-14)6-13-9(15)8-4-2-1-3-5-8/h1-2,8,14H,3-7H2,(H,13,15)
InChIKeyICOJBYHWVRVGFN-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.09
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide (PubChem CID 104857134) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide
PubChem CID104857134
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC(F)(F)CO)C1CC=CCC1
InChIInChI=1S/C10H15F2NO2/c11-10(12,7-14)6-13-9(15)8-4-2-1-3-5-8/h1-2,8,14H,3-7H2,(H,13,15)
InChIKeyICOJBYHWVRVGFN-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide (CID 104857134) is N-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide is O=C(NCC(F)(F)CO)C1CC=CCC1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is ICOJBYHWVRVGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c11-10(12,7-14)6-13-9(15)8-4-2-1-3-5-8/h1-2,8,14H,3-7H2,(H,13,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 219.23 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 104857134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).