N-ethyl-N-fluoropropan-2-amine

C5H12FN — CID 146312681

IUPACN-ethyl-N-fluoropropan-2-amine
SMILESCCN(F)C(C)C
InChIInChI=1S/C5H12FN/c1-4-7(6)5(2)3/h5H,4H2,1-3H3
InChIKeyKFMLOMLUIQYFDX-UHFFFAOYSA-N
MW105.16 g/mol
LogP1.60
Rot. Bonds2

About N-ethyl-N-fluoropropan-2-amine

N-ethyl-N-fluoropropan-2-amine (PubChem CID 146312681) has the molecular formula C5H12FN and a molecular weight of 105.16 g/mol. Its IUPAC name is N-ethyl-N-fluoropropan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-fluoropropan-2-amine
PubChem CID146312681
Molecular FormulaC5H12FN
Molecular Weight105.16 g/mol
Exact Mass105.10
IUPAC NameN-ethyl-N-fluoropropan-2-amine
SMILESCCN(F)C(C)C
InChIInChI=1S/C5H12FN/c1-4-7(6)5(2)3/h5H,4H2,1-3H3
InChIKeyKFMLOMLUIQYFDX-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-fluoropropan-2-amine?
The IUPAC name of N-ethyl-N-fluoropropan-2-amine (CID 146312681) is N-ethyl-N-fluoropropan-2-amine.
What is the SMILES notation for N-ethyl-N-fluoropropan-2-amine?
The canonical SMILES for N-ethyl-N-fluoropropan-2-amine is CCN(F)C(C)C.
What is the InChIKey of N-ethyl-N-fluoropropan-2-amine?
The InChIKey is KFMLOMLUIQYFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FN/c1-4-7(6)5(2)3/h5H,4H2,1-3H3.
What are the key properties of N-ethyl-N-fluoropropan-2-amine?
N-ethyl-N-fluoropropan-2-amine has a molecular weight of 105.16 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-fluoropropan-2-amine is sourced from PubChem (CID 146312681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).