5-chloro-N-(3-fluoropropyl)pentan-2-amine

C8H17ClFN — CID 81113328

IUPAC5-chloro-N-(3-fluoropropyl)pentan-2-amine
SMILESCC(CCCCl)NCCCF
InChIInChI=1S/C8H17ClFN/c1-8(4-2-5-9)11-7-3-6-10/h8,11H,2-7H2,1H3
InChIKeyYZURKMAZXXYUPD-UHFFFAOYSA-N
MW181.68 g/mol
LogP2.34
Rot. Bonds7

About 5-chloro-N-(3-fluoropropyl)pentan-2-amine

5-chloro-N-(3-fluoropropyl)pentan-2-amine (PubChem CID 81113328) has the molecular formula C8H17ClFN and a molecular weight of 181.68 g/mol. Its IUPAC name is 5-chloro-N-(3-fluoropropyl)pentan-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-fluoropropyl)pentan-2-amine
PubChem CID81113328
Molecular FormulaC8H17ClFN
Molecular Weight181.68 g/mol
Exact Mass181.10
IUPAC Name5-chloro-N-(3-fluoropropyl)pentan-2-amine
SMILESCC(CCCCl)NCCCF
InChIInChI=1S/C8H17ClFN/c1-8(4-2-5-9)11-7-3-6-10/h8,11H,2-7H2,1H3
InChIKeyYZURKMAZXXYUPD-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.68
LogP ≤ 52.34
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-fluoropropyl)pentan-2-amine?
The IUPAC name of 5-chloro-N-(3-fluoropropyl)pentan-2-amine (CID 81113328) is 5-chloro-N-(3-fluoropropyl)pentan-2-amine.
What is the SMILES notation for 5-chloro-N-(3-fluoropropyl)pentan-2-amine?
The canonical SMILES for 5-chloro-N-(3-fluoropropyl)pentan-2-amine is CC(CCCCl)NCCCF.
What is the InChIKey of 5-chloro-N-(3-fluoropropyl)pentan-2-amine?
The InChIKey is YZURKMAZXXYUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClFN/c1-8(4-2-5-9)11-7-3-6-10/h8,11H,2-7H2,1H3.
What are the key properties of 5-chloro-N-(3-fluoropropyl)pentan-2-amine?
5-chloro-N-(3-fluoropropyl)pentan-2-amine has a molecular weight of 181.68 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-fluoropropyl)pentan-2-amine is sourced from PubChem (CID 81113328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).