N-(4-chloro-4,4-difluorobutyl)butanamide

C8H14ClF2NO — CID 174409982

IUPACN-(4-chloro-4,4-difluorobutyl)butanamide
SMILESCCCC(=O)NCCCC(F)(F)Cl
InChIInChI=1S/C8H14ClF2NO/c1-2-4-7(13)12-6-3-5-8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyHRCRELGQXQOXLP-UHFFFAOYSA-N
MW213.65 g/mol
LogP2.51
Rot. Bonds6

About N-(4-chloro-4,4-difluorobutyl)butanamide

N-(4-chloro-4,4-difluorobutyl)butanamide (PubChem CID 174409982) has the molecular formula C8H14ClF2NO and a molecular weight of 213.65 g/mol. Its IUPAC name is N-(4-chloro-4,4-difluorobutyl)butanamide.

Molecular Properties

Compound NameN-(4-chloro-4,4-difluorobutyl)butanamide
PubChem CID174409982
Molecular FormulaC8H14ClF2NO
Molecular Weight213.65 g/mol
Exact Mass213.07
IUPAC NameN-(4-chloro-4,4-difluorobutyl)butanamide
SMILESCCCC(=O)NCCCC(F)(F)Cl
InChIInChI=1S/C8H14ClF2NO/c1-2-4-7(13)12-6-3-5-8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyHRCRELGQXQOXLP-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.65
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-4,4-difluorobutyl)butanamide?
The IUPAC name of N-(4-chloro-4,4-difluorobutyl)butanamide (CID 174409982) is N-(4-chloro-4,4-difluorobutyl)butanamide.
What is the SMILES notation for N-(4-chloro-4,4-difluorobutyl)butanamide?
The canonical SMILES for N-(4-chloro-4,4-difluorobutyl)butanamide is CCCC(=O)NCCCC(F)(F)Cl.
What is the InChIKey of N-(4-chloro-4,4-difluorobutyl)butanamide?
The InChIKey is HRCRELGQXQOXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF2NO/c1-2-4-7(13)12-6-3-5-8(9,10)11/h2-6H2,1H3,(H,12,13).
What are the key properties of N-(4-chloro-4,4-difluorobutyl)butanamide?
N-(4-chloro-4,4-difluorobutyl)butanamide has a molecular weight of 213.65 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-4,4-difluorobutyl)butanamide is sourced from PubChem (CID 174409982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).