4-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine

C10H21F2NO — CID 82006166

IUPAC4-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCOCC(F)F
InChIInChI=1S/C10H21F2NO/c1-9(2)7-13-5-3-4-6-14-8-10(11)12/h9-10,13H,3-8H2,1-2H3
InChIKeyHDBLVNSRMMRMCH-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.29
Rot. Bonds9

About 4-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine

4-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine (PubChem CID 82006166) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine
PubChem CID82006166
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name4-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCOCC(F)F
InChIInChI=1S/C10H21F2NO/c1-9(2)7-13-5-3-4-6-14-8-10(11)12/h9-10,13H,3-8H2,1-2H3
InChIKeyHDBLVNSRMMRMCH-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
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-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine (CID 82006166) is 4-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCCCOCC(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is HDBLVNSRMMRMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-9(2)7-13-5-3-4-6-14-8-10(11)12/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine?
4-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 209.28 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 82006166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).