3,3-difluoro-2-methylbutan-1-amine

C5H11F2N — CID 84647801

IUPAC3,3-difluoro-2-methylbutan-1-amine
SMILESCC(CN)C(C)(F)F
InChIInChI=1S/C5H11F2N/c1-4(3-8)5(2,6)7/h4H,3,8H2,1-2H3
InChIKeyXTUXSABSTTYHNJ-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.24
Rot. Bonds2

About 3,3-difluoro-2-methylbutan-1-amine

3,3-difluoro-2-methylbutan-1-amine (PubChem CID 84647801) has the molecular formula C5H11F2N and a molecular weight of 123.15 g/mol. Its IUPAC name is 3,3-difluoro-2-methylbutan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-2-methylbutan-1-amine
PubChem CID84647801
Molecular FormulaC5H11F2N
Molecular Weight123.15 g/mol
Exact Mass123.09
IUPAC Name3,3-difluoro-2-methylbutan-1-amine
SMILESCC(CN)C(C)(F)F
InChIInChI=1S/C5H11F2N/c1-4(3-8)5(2,6)7/h4H,3,8H2,1-2H3
InChIKeyXTUXSABSTTYHNJ-UHFFFAOYSA-N
XLogP1.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methylbutan-1-amine?
The IUPAC name of 3,3-difluoro-2-methylbutan-1-amine (CID 84647801) is 3,3-difluoro-2-methylbutan-1-amine.
What is the SMILES notation for 3,3-difluoro-2-methylbutan-1-amine?
The canonical SMILES for 3,3-difluoro-2-methylbutan-1-amine is CC(CN)C(C)(F)F.
What is the InChIKey of 3,3-difluoro-2-methylbutan-1-amine?
The InChIKey is XTUXSABSTTYHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N/c1-4(3-8)5(2,6)7/h4H,3,8H2,1-2H3.
What are the key properties of 3,3-difluoro-2-methylbutan-1-amine?
3,3-difluoro-2-methylbutan-1-amine has a molecular weight of 123.15 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methylbutan-1-amine is sourced from PubChem (CID 84647801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).