1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide

C11H18F3NO2 — CID 103755875

IUPAC1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCC(O)C(F)(F)F)CCCC1
InChIInChI=1S/C11H18F3NO2/c1-2-10(5-3-4-6-10)9(17)15-7-8(16)11(12,13)14/h8,16H,2-7H2,1H3,(H,15,17)
InChIKeyYJLABSVSJMAOJT-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.00
Rot. Bonds4

About 1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide

1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide (PubChem CID 103755875) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
PubChem CID103755875
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCC(O)C(F)(F)F)CCCC1
InChIInChI=1S/C11H18F3NO2/c1-2-10(5-3-4-6-10)9(17)15-7-8(16)11(12,13)14/h8,16H,2-7H2,1H3,(H,15,17)
InChIKeyYJLABSVSJMAOJT-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide (CID 103755875) is 1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide is CCC1(C(=O)NCC(O)C(F)(F)F)CCCC1.
What is the InChIKey of 1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
The InChIKey is YJLABSVSJMAOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-2-10(5-3-4-6-10)9(17)15-7-8(16)11(12,13)14/h8,16H,2-7H2,1H3,(H,15,17).
What are the key properties of 1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 103755875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).