N-(3-fluoropropyl)butan-2-amine

C7H16FN — CID 81107286

IUPACN-(3-fluoropropyl)butan-2-amine
SMILESCCC(C)NCCCF
InChIInChI=1S/C7H16FN/c1-3-7(2)9-6-4-5-8/h7,9H,3-6H2,1-2H3
InChIKeyLGEQKBOLVCLMLI-UHFFFAOYSA-N
MW133.21 g/mol
LogP1.73
Rot. Bonds5

About N-(3-fluoropropyl)butan-2-amine

N-(3-fluoropropyl)butan-2-amine (PubChem CID 81107286) has the molecular formula C7H16FN and a molecular weight of 133.21 g/mol. Its IUPAC name is N-(3-fluoropropyl)butan-2-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)butan-2-amine
PubChem CID81107286
Molecular FormulaC7H16FN
Molecular Weight133.21 g/mol
Exact Mass133.13
IUPAC NameN-(3-fluoropropyl)butan-2-amine
SMILESCCC(C)NCCCF
InChIInChI=1S/C7H16FN/c1-3-7(2)9-6-4-5-8/h7,9H,3-6H2,1-2H3
InChIKeyLGEQKBOLVCLMLI-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)butan-2-amine?
The IUPAC name of N-(3-fluoropropyl)butan-2-amine (CID 81107286) is N-(3-fluoropropyl)butan-2-amine.
What is the SMILES notation for N-(3-fluoropropyl)butan-2-amine?
The canonical SMILES for N-(3-fluoropropyl)butan-2-amine is CCC(C)NCCCF.
What is the InChIKey of N-(3-fluoropropyl)butan-2-amine?
The InChIKey is LGEQKBOLVCLMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN/c1-3-7(2)9-6-4-5-8/h7,9H,3-6H2,1-2H3.
What are the key properties of N-(3-fluoropropyl)butan-2-amine?
N-(3-fluoropropyl)butan-2-amine has a molecular weight of 133.21 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)butan-2-amine is sourced from PubChem (CID 81107286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).