(2R)-4,4-difluoro-N,N-dimethylbutan-2-amine

C6H13F2N — CID 174323846

IUPAC(2R)-4,4-difluoro-N,N-dimethylbutan-2-amine
SMILESC[C@H](CC(F)F)N(C)C
InChIInChI=1S/C6H13F2N/c1-5(9(2)3)4-6(7)8/h5-6H,4H2,1-3H3/t5-/m1/s1
InChIKeyAMPIUBRCWSCZGB-RXMQYKEDSA-N
MW137.17 g/mol
LogP1.59
Rot. Bonds3

About (2R)-4,4-difluoro-N,N-dimethylbutan-2-amine

(2R)-4,4-difluoro-N,N-dimethylbutan-2-amine (PubChem CID 174323846) has the molecular formula C6H13F2N and a molecular weight of 137.17 g/mol. Its IUPAC name is (2R)-4,4-difluoro-N,N-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2R)-4,4-difluoro-N,N-dimethylbutan-2-amine
PubChem CID174323846
Molecular FormulaC6H13F2N
Molecular Weight137.17 g/mol
Exact Mass137.10
IUPAC Name(2R)-4,4-difluoro-N,N-dimethylbutan-2-amine
SMILESC[C@H](CC(F)F)N(C)C
InChIInChI=1S/C6H13F2N/c1-5(9(2)3)4-6(7)8/h5-6H,4H2,1-3H3/t5-/m1/s1
InChIKeyAMPIUBRCWSCZGB-RXMQYKEDSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.17
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
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CID 159487745
3-ethyl-1,1-difluoropentane
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(3R)-1,1-difluoro-4-methylpentan-3-amine
CID 58921752
1,1-difluoropentan-3-amine
CID 62581791
1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 57251767
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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-difluoro-N,N-dimethylbutan-2-amine?
The IUPAC name of (2R)-4,4-difluoro-N,N-dimethylbutan-2-amine (CID 174323846) is (2R)-4,4-difluoro-N,N-dimethylbutan-2-amine.
What is the SMILES notation for (2R)-4,4-difluoro-N,N-dimethylbutan-2-amine?
The canonical SMILES for (2R)-4,4-difluoro-N,N-dimethylbutan-2-amine is C[C@H](CC(F)F)N(C)C.
What is the InChIKey of (2R)-4,4-difluoro-N,N-dimethylbutan-2-amine?
The InChIKey is AMPIUBRCWSCZGB-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13F2N/c1-5(9(2)3)4-6(7)8/h5-6H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of (2R)-4,4-difluoro-N,N-dimethylbutan-2-amine?
(2R)-4,4-difluoro-N,N-dimethylbutan-2-amine has a molecular weight of 137.17 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-difluoro-N,N-dimethylbutan-2-amine is sourced from PubChem (CID 174323846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).