N-cyclopentyloxy-4,4,4-trifluorobutanamide

C9H14F3NO2 — CID 83202760

IUPACN-cyclopentyloxy-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NOC1CCCC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)6-5-8(14)13-15-7-3-1-2-4-7/h7H,1-6H2,(H,13,14)
InChIKeyNSSQJEJEPDERGC-UHFFFAOYSA-N
MW225.21 g/mol
LogP2.32
Rot. Bonds4

About N-cyclopentyloxy-4,4,4-trifluorobutanamide

N-cyclopentyloxy-4,4,4-trifluorobutanamide (PubChem CID 83202760) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-cyclopentyloxy-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-cyclopentyloxy-4,4,4-trifluorobutanamide
PubChem CID83202760
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-cyclopentyloxy-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NOC1CCCC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)6-5-8(14)13-15-7-3-1-2-4-7/h7H,1-6H2,(H,13,14)
InChIKeyNSSQJEJEPDERGC-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide
CID 131949460
N-cyclopentyloxy-2-(cyclopropylmethylamino)acetamide
CID 83235393
6-acetamido-N-cyclopentyloxyhexanamide
CID 83206356
N-[2-(cyclopentyloxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 83201783
2-[2-(cyclopentyloxyamino)-2-oxoethoxy]acetic acid
CID 83228998
N-[2-(cycloheptylamino)ethyl]-4,4,4-trifluorobutanamide;hydrochloride
CID 119621375
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide
CID 81486060
N-cyclopentyloxy-2-piperidin-4-ylsulfanylacetamide
CID 114627981
N-cyclopentyloxy-2-phenylacetamide
CID 83202949
2-(1-aminocyclohexyl)-N-cyclopentyloxyacetamide
CID 83236332
3-(2-chlorophenyl)-N-cyclopentyloxypropanamide
CID 83202593
N-cyclopentyloxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 83202689

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-4,4,4-trifluorobutanamide?
The IUPAC name of N-cyclopentyloxy-4,4,4-trifluorobutanamide (CID 83202760) is N-cyclopentyloxy-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-cyclopentyloxy-4,4,4-trifluorobutanamide?
The canonical SMILES for N-cyclopentyloxy-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)NOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-4,4,4-trifluorobutanamide?
The InChIKey is NSSQJEJEPDERGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)6-5-8(14)13-15-7-3-1-2-4-7/h7H,1-6H2,(H,13,14).
What are the key properties of N-cyclopentyloxy-4,4,4-trifluorobutanamide?
N-cyclopentyloxy-4,4,4-trifluorobutanamide has a molecular weight of 225.21 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-4,4,4-trifluorobutanamide is sourced from PubChem (CID 83202760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).