3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide

C11H17ClF3NO2 — CID 43696429

IUPAC3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
SMILESO=C(CCCl)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H17ClF3NO2/c12-5-4-10(17)16-8-2-1-3-9(6-8)18-7-11(13,14)15/h8-9H,1-7H2,(H,16,17)
InChIKeyLNYZLDFNTODZEI-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.62
Rot. Bonds5

About 3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide

3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide (PubChem CID 43696429) has the molecular formula C11H17ClF3NO2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
PubChem CID43696429
Molecular FormulaC11H17ClF3NO2
Molecular Weight287.71 g/mol
Exact Mass287.09
IUPAC Name3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
SMILESO=C(CCCl)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H17ClF3NO2/c12-5-4-10(17)16-8-2-1-3-9(6-8)18-7-11(13,14)15/h8-9H,1-7H2,(H,16,17)
InChIKeyLNYZLDFNTODZEI-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-fluoro-5-prop-2-ynoxycyclohexyl)propanamide
CID 140771794
2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 43696428
2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43696431
5-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
CID 43696434
6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide
CID 43698419
3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43698422
4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
CID 43698431
3-chloro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 55111083
4-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
CID 55204059
4-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
CID 60843294
3-(propan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 60854881
3-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 61714664

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The IUPAC name of 3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide (CID 43696429) is 3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide.
What is the SMILES notation for 3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The canonical SMILES for 3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide is O=C(CCCl)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The InChIKey is LNYZLDFNTODZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClF3NO2/c12-5-4-10(17)16-8-2-1-3-9(6-8)18-7-11(13,14)15/h8-9H,1-7H2,(H,16,17).
What are the key properties of 3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide has a molecular weight of 287.71 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide is sourced from PubChem (CID 43696429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).