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

C10H14F3NO2 — CID 103723265

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CC=CCC1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)8(15)6-14-9(16)7-4-2-1-3-5-7/h1-2,7-8,15H,3-6H2,(H,14,16)
InChIKeyJJMKXTQNXRBQSR-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.38
Rot. Bonds3

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

N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide (PubChem CID 103723265) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide
PubChem CID103723265
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CC=CCC1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)8(15)6-14-9(16)7-4-2-1-3-5-7/h1-2,7-8,15H,3-6H2,(H,14,16)
InChIKeyJJMKXTQNXRBQSR-UHFFFAOYSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.38
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-(3,3,3-trifluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide (CID 103723265) is N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide is O=C(NCC(O)C(F)(F)F)C1CC=CCC1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is JJMKXTQNXRBQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c11-10(12,13)8(15)6-14-9(16)7-4-2-1-3-5-7/h1-2,7-8,15H,3-6H2,(H,14,16).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 237.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 103723265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).