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

Analyze 2,4-difluoro-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-fluoro-N,5-dimethylhexan-1-amine
CID 129462625
2-fluoro-N,N',N'-trimethylbutane-1,4-diamine
CID 175905976
2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride
CID 122239963
(3S)-1,3-difluoroheptane
CID 148515317
ethane;2-fluoro-N-methylpropan-1-amine
CID 144550973
1-bromo-2,4-difluorobutane
CID 84654528
2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine
CID 142196166
(2R)-3-cyclopentyl-2-fluoro-N-methylpropan-1-amine
CID 129462680
2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride
CID 122239914
(2R)-3,3-difluoro-N,2-dimethylpropan-1-amine
CID 176965974
3-fluoro-1-N-methylpropane-1,2-diamine
CID 89240852
3-(2,2-difluoroethoxy)-N,2-dimethylpropan-1-amine
CID 103075035

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).