2-(chloromethyl)-3-fluoropropan-1-amine

C4H9ClFN — CID 146293883

IUPAC2-(chloromethyl)-3-fluoropropan-1-amine
SMILESNCC(CF)CCl
InChIInChI=1S/C4H9ClFN/c5-1-4(2-6)3-7/h4H,1-3,7H2
InChIKeyQHEJUYMFBSCNBP-UHFFFAOYSA-N
MW125.57 g/mol
LogP0.77
Rot. Bonds3

About 2-(chloromethyl)-3-fluoropropan-1-amine

2-(chloromethyl)-3-fluoropropan-1-amine (PubChem CID 146293883) has the molecular formula C4H9ClFN and a molecular weight of 125.57 g/mol. Its IUPAC name is 2-(chloromethyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-3-fluoropropan-1-amine
PubChem CID146293883
Molecular FormulaC4H9ClFN
Molecular Weight125.57 g/mol
Exact Mass125.04
IUPAC Name2-(chloromethyl)-3-fluoropropan-1-amine
SMILESNCC(CF)CCl
InChIInChI=1S/C4H9ClFN/c5-1-4(2-6)3-7/h4H,1-3,7H2
InChIKeyQHEJUYMFBSCNBP-UHFFFAOYSA-N
XLogP0.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.57
LogP ≤ 50.77
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 2-(chloromethyl)-3-fluoropropan-1-amine?
The IUPAC name of 2-(chloromethyl)-3-fluoropropan-1-amine (CID 146293883) is 2-(chloromethyl)-3-fluoropropan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-3-fluoropropan-1-amine?
The canonical SMILES for 2-(chloromethyl)-3-fluoropropan-1-amine is NCC(CF)CCl.
What is the InChIKey of 2-(chloromethyl)-3-fluoropropan-1-amine?
The InChIKey is QHEJUYMFBSCNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClFN/c5-1-4(2-6)3-7/h4H,1-3,7H2.
What are the key properties of 2-(chloromethyl)-3-fluoropropan-1-amine?
2-(chloromethyl)-3-fluoropropan-1-amine has a molecular weight of 125.57 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 146293883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).