2,4-difluoro-N-methylbutan-1-amine

C5H11F2N — CID 147861140

IUPAC2,4-difluoro-N-methylbutan-1-amine
SMILESCNCC(F)CCF
InChIInChI=1S/C5H11F2N/c1-8-4-5(7)2-3-6/h5,8H,2-4H2,1H3
InChIKeyHWSNVDLRILOICR-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.90
Rot. Bonds4

About 2,4-difluoro-N-methylbutan-1-amine

2,4-difluoro-N-methylbutan-1-amine (PubChem CID 147861140) has the molecular formula C5H11F2N and a molecular weight of 123.15 g/mol. Its IUPAC name is 2,4-difluoro-N-methylbutan-1-amine.

Molecular Properties

Compound Name2,4-difluoro-N-methylbutan-1-amine
PubChem CID147861140
Molecular FormulaC5H11F2N
Molecular Weight123.15 g/mol
Exact Mass123.09
IUPAC Name2,4-difluoro-N-methylbutan-1-amine
SMILESCNCC(F)CCF
InChIInChI=1S/C5H11F2N/c1-8-4-5(7)2-3-6/h5,8H,2-4H2,1H3
InChIKeyHWSNVDLRILOICR-UHFFFAOYSA-N
XLogP0.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-methylbutan-1-amine?
The IUPAC name of 2,4-difluoro-N-methylbutan-1-amine (CID 147861140) is 2,4-difluoro-N-methylbutan-1-amine.
What is the SMILES notation for 2,4-difluoro-N-methylbutan-1-amine?
The canonical SMILES for 2,4-difluoro-N-methylbutan-1-amine is CNCC(F)CCF.
What is the InChIKey of 2,4-difluoro-N-methylbutan-1-amine?
The InChIKey is HWSNVDLRILOICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N/c1-8-4-5(7)2-3-6/h5,8H,2-4H2,1H3.
What are the key properties of 2,4-difluoro-N-methylbutan-1-amine?
2,4-difluoro-N-methylbutan-1-amine has a molecular weight of 123.15 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-methylbutan-1-amine is sourced from PubChem (CID 147861140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).