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

C13H21ClF3NO2 — CID 43696434

IUPAC5-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
SMILESO=C(CCCCCl)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H21ClF3NO2/c14-7-2-1-6-12(19)18-10-4-3-5-11(8-10)20-9-13(15,16)17/h10-11H,1-9H2,(H,18,19)
InChIKeyCFPBVCPIUUCHRC-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.40
Rot. Bonds7

About 5-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide

5-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide (PubChem CID 43696434) has the molecular formula C13H21ClF3NO2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 5-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
PubChem CID43696434
Molecular FormulaC13H21ClF3NO2
Molecular Weight315.76 g/mol
Exact Mass315.12
IUPAC Name5-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
SMILESO=C(CCCCCl)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H21ClF3NO2/c14-7-2-1-6-12(19)18-10-4-3-5-11(8-10)20-9-13(15,16)17/h10-11H,1-9H2,(H,18,19)
InChIKeyCFPBVCPIUUCHRC-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43696429
2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43696431
6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide
CID 43698419
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
3-chloro-2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 63678482
5-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
CID 64059044
4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
CID 64094403
3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
CID 81969318

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide?
The IUPAC name of 5-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide (CID 43696434) is 5-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide?
The canonical SMILES for 5-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide is O=C(CCCCCl)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 5-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide?
The InChIKey is CFPBVCPIUUCHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClF3NO2/c14-7-2-1-6-12(19)18-10-4-3-5-11(8-10)20-9-13(15,16)17/h10-11H,1-9H2,(H,18,19).
What are the key properties of 5-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide?
5-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide has a molecular weight of 315.76 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide is sourced from PubChem (CID 43696434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).