4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide

C8H11ClF3NO — CID 106211141

IUPAC4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide
SMILESO=C(CCCCl)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H11ClF3NO/c9-5-1-2-6(14)13-7(3-4-7)8(10,11)12/h1-5H2,(H,13,14)
InChIKeyMBDLCRSXWHZDPU-UHFFFAOYSA-N
MW229.63 g/mol
LogP2.22
Rot. Bonds4

About 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide

4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide (PubChem CID 106211141) has the molecular formula C8H11ClF3NO and a molecular weight of 229.63 g/mol. Its IUPAC name is 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide
PubChem CID106211141
Molecular FormulaC8H11ClF3NO
Molecular Weight229.63 g/mol
Exact Mass229.05
IUPAC Name4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide
SMILESO=C(CCCCl)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H11ClF3NO/c9-5-1-2-6(14)13-7(3-4-7)8(10,11)12/h1-5H2,(H,13,14)
InChIKeyMBDLCRSXWHZDPU-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.63
LogP ≤ 52.22
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 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide?
The IUPAC name of 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide (CID 106211141) is 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide.
What is the SMILES notation for 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide?
The canonical SMILES for 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide is O=C(CCCCl)NC1(C(F)(F)F)CC1.
What is the InChIKey of 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide?
The InChIKey is MBDLCRSXWHZDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF3NO/c9-5-1-2-6(14)13-7(3-4-7)8(10,11)12/h1-5H2,(H,13,14).
What are the key properties of 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide?
4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide has a molecular weight of 229.63 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide is sourced from PubChem (CID 106211141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).