N,N-diethyl-1,1-difluoro-2-methylpropan-1-amine

C8H17F2N — CID 10103496

IUPACN,N-diethyl-1,1-difluoro-2-methylpropan-1-amine
SMILESCCN(CC)C(F)(F)C(C)C
InChIInChI=1S/C8H17F2N/c1-5-11(6-2)8(9,10)7(3)4/h7H,5-6H2,1-4H3
InChIKeyMDQWDCNUYPMXMG-UHFFFAOYSA-N
MW165.23 g/mol
LogP2.58
Rot. Bonds4

About N,N-diethyl-1,1-difluoro-2-methylpropan-1-amine

N,N-diethyl-1,1-difluoro-2-methylpropan-1-amine (PubChem CID 10103496) has the molecular formula C8H17F2N and a molecular weight of 165.23 g/mol. Its IUPAC name is N,N-diethyl-1,1-difluoro-2-methylpropan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1,1-difluoro-2-methylpropan-1-amine
PubChem CID10103496
Molecular FormulaC8H17F2N
Molecular Weight165.23 g/mol
Exact Mass165.13
IUPAC NameN,N-diethyl-1,1-difluoro-2-methylpropan-1-amine
SMILESCCN(CC)C(F)(F)C(C)C
InChIInChI=1S/C8H17F2N/c1-5-11(6-2)8(9,10)7(3)4/h7H,5-6H2,1-4H3
InChIKeyMDQWDCNUYPMXMG-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1-difluoro-2-methylpropan-1-amine?
The IUPAC name of N,N-diethyl-1,1-difluoro-2-methylpropan-1-amine (CID 10103496) is N,N-diethyl-1,1-difluoro-2-methylpropan-1-amine.
What is the SMILES notation for N,N-diethyl-1,1-difluoro-2-methylpropan-1-amine?
The canonical SMILES for N,N-diethyl-1,1-difluoro-2-methylpropan-1-amine is CCN(CC)C(F)(F)C(C)C.
What is the InChIKey of N,N-diethyl-1,1-difluoro-2-methylpropan-1-amine?
The InChIKey is MDQWDCNUYPMXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N/c1-5-11(6-2)8(9,10)7(3)4/h7H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-1,1-difluoro-2-methylpropan-1-amine?
N,N-diethyl-1,1-difluoro-2-methylpropan-1-amine has a molecular weight of 165.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1-difluoro-2-methylpropan-1-amine is sourced from PubChem (CID 10103496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).