2,2-difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine

C14H29F2NO — CID 130279046

IUPAC2,2-difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine
SMILESCCCCCCC(C)(CCC)OCC(F)(F)CN
InChIInChI=1S/C14H29F2NO/c1-4-6-7-8-10-13(3,9-5-2)18-12-14(15,16)11-17/h4-12,17H2,1-3H3
InChIKeyTVFRVQNUZNHQFG-UHFFFAOYSA-N
MW265.39 g/mol
LogP4.13
Rot. Bonds11

About 2,2-difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine

2,2-difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine (PubChem CID 130279046) has the molecular formula C14H29F2NO and a molecular weight of 265.39 g/mol. Its IUPAC name is 2,2-difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine
PubChem CID130279046
Molecular FormulaC14H29F2NO
Molecular Weight265.39 g/mol
Exact Mass265.22
IUPAC Name2,2-difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine
SMILESCCCCCCC(C)(CCC)OCC(F)(F)CN
InChIInChI=1S/C14H29F2NO/c1-4-6-7-8-10-13(3,9-5-2)18-12-14(15,16)11-17/h4-12,17H2,1-3H3
InChIKeyTVFRVQNUZNHQFG-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 54.13
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 2,2-difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine?
The IUPAC name of 2,2-difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine (CID 130279046) is 2,2-difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine is CCCCCCC(C)(CCC)OCC(F)(F)CN.
What is the InChIKey of 2,2-difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine?
The InChIKey is TVFRVQNUZNHQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F2NO/c1-4-6-7-8-10-13(3,9-5-2)18-12-14(15,16)11-17/h4-12,17H2,1-3H3.
What are the key properties of 2,2-difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine?
2,2-difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine has a molecular weight of 265.39 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(4-methyldecan-4-yloxy)propan-1-amine is sourced from PubChem (CID 130279046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).