N-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide

C10H15ClF3NO — CID 106127646

IUPACN-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NCC1CCC(Cl)C1
InChIInChI=1S/C10H15ClF3NO/c11-8-2-1-7(5-8)6-15-9(16)3-4-10(12,13)14/h7-8H,1-6H2,(H,15,16)
InChIKeyXMGOCUVCZMPBOS-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.85
Rot. Bonds4

About N-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide

N-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide (PubChem CID 106127646) has the molecular formula C10H15ClF3NO and a molecular weight of 257.68 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide
PubChem CID106127646
Molecular FormulaC10H15ClF3NO
Molecular Weight257.68 g/mol
Exact Mass257.08
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NCC1CCC(Cl)C1
InChIInChI=1S/C10H15ClF3NO/c11-8-2-1-7(5-8)6-15-9(16)3-4-10(12,13)14/h7-8H,1-6H2,(H,15,16)
InChIKeyXMGOCUVCZMPBOS-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide (CID 106127646) is N-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)NCC1CCC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide?
The InChIKey is XMGOCUVCZMPBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3NO/c11-8-2-1-7(5-8)6-15-9(16)3-4-10(12,13)14/h7-8H,1-6H2,(H,15,16).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide?
N-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide has a molecular weight of 257.68 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 106127646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).