5-chloro-N-(3,3,3-trifluoropropyl)pentanamide

C8H13ClF3NO — CID 63226674

IUPAC5-chloro-N-(3,3,3-trifluoropropyl)pentanamide
SMILESO=C(CCCCCl)NCCC(F)(F)F
InChIInChI=1S/C8H13ClF3NO/c9-5-2-1-3-7(14)13-6-4-8(10,11)12/h1-6H2,(H,13,14)
InChIKeyIYXSAHYMSLHXND-UHFFFAOYSA-N
MW231.64 g/mol
LogP2.46
Rot. Bonds6

About 5-chloro-N-(3,3,3-trifluoropropyl)pentanamide

5-chloro-N-(3,3,3-trifluoropropyl)pentanamide (PubChem CID 63226674) has the molecular formula C8H13ClF3NO and a molecular weight of 231.64 g/mol. Its IUPAC name is 5-chloro-N-(3,3,3-trifluoropropyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(3,3,3-trifluoropropyl)pentanamide
PubChem CID63226674
Molecular FormulaC8H13ClF3NO
Molecular Weight231.64 g/mol
Exact Mass231.06
IUPAC Name5-chloro-N-(3,3,3-trifluoropropyl)pentanamide
SMILESO=C(CCCCCl)NCCC(F)(F)F
InChIInChI=1S/C8H13ClF3NO/c9-5-2-1-3-7(14)13-6-4-8(10,11)12/h1-6H2,(H,13,14)
InChIKeyIYXSAHYMSLHXND-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 52.46
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 5-chloro-N-(3,3,3-trifluoropropyl)pentanamide?
The IUPAC name of 5-chloro-N-(3,3,3-trifluoropropyl)pentanamide (CID 63226674) is 5-chloro-N-(3,3,3-trifluoropropyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(3,3,3-trifluoropropyl)pentanamide?
The canonical SMILES for 5-chloro-N-(3,3,3-trifluoropropyl)pentanamide is O=C(CCCCCl)NCCC(F)(F)F.
What is the InChIKey of 5-chloro-N-(3,3,3-trifluoropropyl)pentanamide?
The InChIKey is IYXSAHYMSLHXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF3NO/c9-5-2-1-3-7(14)13-6-4-8(10,11)12/h1-6H2,(H,13,14).
What are the key properties of 5-chloro-N-(3,3,3-trifluoropropyl)pentanamide?
5-chloro-N-(3,3,3-trifluoropropyl)pentanamide has a molecular weight of 231.64 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3,3-trifluoropropyl)pentanamide is sourced from PubChem (CID 63226674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).