N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide

C12H20F3NO2 — CID 131949460

IUPACN-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NCCCOC1CCCC1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)7-6-11(17)16-8-3-9-18-10-4-1-2-5-10/h10H,1-9H2,(H,16,17)
InChIKeyZKYLWXHEUAFSIM-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.79
Rot. Bonds7

About N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide

N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide (PubChem CID 131949460) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide
PubChem CID131949460
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NCCCOC1CCCC1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)7-6-11(17)16-8-3-9-18-10-4-1-2-5-10/h10H,1-9H2,(H,16,17)
InChIKeyZKYLWXHEUAFSIM-UHFFFAOYSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(3-cyclohexyloxypropyl)-4,4-dimethylhexanamide
CID 65292212
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
N-(3-cyclohexyloxypropyl)-3-piperidin-4-ylpropanamide
CID 62210078
N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide
CID 106308033
6-amino-N-(2-cyclopentyloxyethyl)-4,4-dimethylhexanamide
CID 65291239
N-(3-cyclohexyloxypropyl)-2-piperidin-4-ylacetamide
CID 61275990
N-[2-(cycloheptylamino)ethyl]-4,4,4-trifluorobutanamide;hydrochloride
CID 119621375
4-chloro-N-(2-cyclopentyloxyethyl)butanamide
CID 63828950
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide
CID 107030121
N-(3-cyclohexyloxypropyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430333
N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide
CID 100603333

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide (CID 131949460) is N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)NCCCOC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide?
The InChIKey is ZKYLWXHEUAFSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)7-6-11(17)16-8-3-9-18-10-4-1-2-5-10/h10H,1-9H2,(H,16,17).
What are the key properties of N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide?
N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide has a molecular weight of 267.29 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 131949460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).