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

C10H16F3NO2 — CID 103730662

IUPAC1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC(O)C(F)(F)F)CCCC1
InChIInChI=1S/C10H16F3NO2/c1-9(4-2-3-5-9)8(16)14-6-7(15)10(11,12)13/h7,15H,2-6H2,1H3,(H,14,16)
InChIKeyBRDSPABMRIOAHT-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.61
Rot. Bonds3

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

1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide (PubChem CID 103730662) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
PubChem CID103730662
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC(O)C(F)(F)F)CCCC1
InChIInChI=1S/C10H16F3NO2/c1-9(4-2-3-5-9)8(16)14-6-7(15)10(11,12)13/h7,15H,2-6H2,1H3,(H,14,16)
InChIKeyBRDSPABMRIOAHT-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide (CID 103730662) is 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide is CC1(C(=O)NCC(O)C(F)(F)F)CCCC1.
What is the InChIKey of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
The InChIKey is BRDSPABMRIOAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-9(4-2-3-5-9)8(16)14-6-7(15)10(11,12)13/h7,15H,2-6H2,1H3,(H,14,16).
What are the key properties of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide?
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 103730662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).