4,4-difluoro-N,2-dimethylbutan-2-amine

C6H13F2N — CID 134163311

IUPAC4,4-difluoro-N,2-dimethylbutan-2-amine
SMILESCNC(C)(C)CC(F)F
InChIInChI=1S/C6H13F2N/c1-6(2,9-3)4-5(7)8/h5,9H,4H2,1-3H3
InChIKeyCRLQFCSYFXNAIA-UHFFFAOYSA-N
MW137.17 g/mol
LogP1.64
Rot. Bonds3

About 4,4-difluoro-N,2-dimethylbutan-2-amine

4,4-difluoro-N,2-dimethylbutan-2-amine (PubChem CID 134163311) has the molecular formula C6H13F2N and a molecular weight of 137.17 g/mol. Its IUPAC name is 4,4-difluoro-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound Name4,4-difluoro-N,2-dimethylbutan-2-amine
PubChem CID134163311
Molecular FormulaC6H13F2N
Molecular Weight137.17 g/mol
Exact Mass137.10
IUPAC Name4,4-difluoro-N,2-dimethylbutan-2-amine
SMILESCNC(C)(C)CC(F)F
InChIInChI=1S/C6H13F2N/c1-6(2,9-3)4-5(7)8/h5,9H,4H2,1-3H3
InChIKeyCRLQFCSYFXNAIA-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.17
LogP ≤ 51.64
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,2-dimethylbutan-2-amine?
The IUPAC name of 4,4-difluoro-N,2-dimethylbutan-2-amine (CID 134163311) is 4,4-difluoro-N,2-dimethylbutan-2-amine.
What is the SMILES notation for 4,4-difluoro-N,2-dimethylbutan-2-amine?
The canonical SMILES for 4,4-difluoro-N,2-dimethylbutan-2-amine is CNC(C)(C)CC(F)F.
What is the InChIKey of 4,4-difluoro-N,2-dimethylbutan-2-amine?
The InChIKey is CRLQFCSYFXNAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N/c1-6(2,9-3)4-5(7)8/h5,9H,4H2,1-3H3.
What are the key properties of 4,4-difluoro-N,2-dimethylbutan-2-amine?
4,4-difluoro-N,2-dimethylbutan-2-amine has a molecular weight of 137.17 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 134163311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).