4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine

C8H17F2N — CID 134163261

IUPAC4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine
SMILESCNCC(CC(F)F)C(C)C
InChIInChI=1S/C8H17F2N/c1-6(2)7(5-11-3)4-8(9)10/h6-8,11H,4-5H2,1-3H3
InChIKeyUCRWSIMVLZVEBA-UHFFFAOYSA-N
MW165.23 g/mol
LogP2.13
Rot. Bonds5

About 4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine

4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 134163261) has the molecular formula C8H17F2N and a molecular weight of 165.23 g/mol. Its IUPAC name is 4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine
PubChem CID134163261
Molecular FormulaC8H17F2N
Molecular Weight165.23 g/mol
Exact Mass165.13
IUPAC Name4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine
SMILESCNCC(CC(F)F)C(C)C
InChIInChI=1S/C8H17F2N/c1-6(2)7(5-11-3)4-8(9)10/h6-8,11H,4-5H2,1-3H3
InChIKeyUCRWSIMVLZVEBA-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of 4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine (CID 134163261) is 4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine is CNCC(CC(F)F)C(C)C.
What is the InChIKey of 4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is UCRWSIMVLZVEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N/c1-6(2)7(5-11-3)4-8(9)10/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine?
4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 165.23 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 134163261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).