4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine

C10H21F2NO — CID 58422628

IUPAC4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine
SMILESCC(C)C(F)(F)OCCCCN(C)C
InChIInChI=1S/C10H21F2NO/c1-9(2)10(11,12)14-8-6-5-7-13(3)4/h9H,5-8H2,1-4H3
InChIKeyCVEVJHYPMAZZLR-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.59
Rot. Bonds7

About 4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine

4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine (PubChem CID 58422628) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine
PubChem CID58422628
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine
SMILESCC(C)C(F)(F)OCCCCN(C)C
InChIInChI=1S/C10H21F2NO/c1-9(2)10(11,12)14-8-6-5-7-13(3)4/h9H,5-8H2,1-4H3
InChIKeyCVEVJHYPMAZZLR-UHFFFAOYSA-N
XLogP2.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine (CID 58422628) is 4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine is CC(C)C(F)(F)OCCCCN(C)C.
What is the InChIKey of 4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine?
The InChIKey is CVEVJHYPMAZZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-9(2)10(11,12)14-8-6-5-7-13(3)4/h9H,5-8H2,1-4H3.
What are the key properties of 4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine?
4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine has a molecular weight of 209.28 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 58422628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).