N-(3-cyclopentyl-3-oxopropyl)-2,2,2-trifluoroacetamide

C10H14F3NO2 — CID 58762608

IUPACN-(3-cyclopentyl-3-oxopropyl)-2,2,2-trifluoroacetamide
SMILESO=C(CCNC(=O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)9(16)14-6-5-8(15)7-3-1-2-4-7/h7H,1-6H2,(H,14,16)
InChIKeyHQLDJWLONACIFB-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.81
Rot. Bonds4

About N-(3-cyclopentyl-3-oxopropyl)-2,2,2-trifluoroacetamide

N-(3-cyclopentyl-3-oxopropyl)-2,2,2-trifluoroacetamide (PubChem CID 58762608) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is N-(3-cyclopentyl-3-oxopropyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-3-oxopropyl)-2,2,2-trifluoroacetamide
PubChem CID58762608
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC NameN-(3-cyclopentyl-3-oxopropyl)-2,2,2-trifluoroacetamide
SMILESO=C(CCNC(=O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)9(16)14-6-5-8(15)7-3-1-2-4-7/h7H,1-6H2,(H,14,16)
InChIKeyHQLDJWLONACIFB-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-3-oxopropyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-cyclopentyl-3-oxopropyl)-2,2,2-trifluoroacetamide (CID 58762608) is N-(3-cyclopentyl-3-oxopropyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-cyclopentyl-3-oxopropyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-cyclopentyl-3-oxopropyl)-2,2,2-trifluoroacetamide is O=C(CCNC(=O)C(F)(F)F)C1CCCC1.
What is the InChIKey of N-(3-cyclopentyl-3-oxopropyl)-2,2,2-trifluoroacetamide?
The InChIKey is HQLDJWLONACIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c11-10(12,13)9(16)14-6-5-8(15)7-3-1-2-4-7/h7H,1-6H2,(H,14,16).
What are the key properties of N-(3-cyclopentyl-3-oxopropyl)-2,2,2-trifluoroacetamide?
N-(3-cyclopentyl-3-oxopropyl)-2,2,2-trifluoroacetamide has a molecular weight of 237.22 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-3-oxopropyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58762608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).