N-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutanamide

C10H15BrF3NO — CID 114311449

IUPACN-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NC1(CBr)CCCC1
InChIInChI=1S/C10H15BrF3NO/c11-7-9(4-1-2-5-9)15-8(16)3-6-10(12,13)14/h1-7H2,(H,15,16)
InChIKeyZLHNWKNSUHGGSB-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.15
Rot. Bonds4

About N-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutanamide

N-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutanamide (PubChem CID 114311449) has the molecular formula C10H15BrF3NO and a molecular weight of 302.13 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutanamide
PubChem CID114311449
Molecular FormulaC10H15BrF3NO
Molecular Weight302.13 g/mol
Exact Mass301.03
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NC1(CBr)CCCC1
InChIInChI=1S/C10H15BrF3NO/c11-7-9(4-1-2-5-9)15-8(16)3-6-10(12,13)14/h1-7H2,(H,15,16)
InChIKeyZLHNWKNSUHGGSB-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 53.15
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-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutanamide (CID 114311449) is N-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)NC1(CBr)CCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutanamide?
The InChIKey is ZLHNWKNSUHGGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrF3NO/c11-7-9(4-1-2-5-9)15-8(16)3-6-10(12,13)14/h1-7H2,(H,15,16).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutanamide?
N-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutanamide has a molecular weight of 302.13 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 114311449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).