N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine

C15H31F2NO — CID 153306615

IUPACN-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCCNCC(F)(F)COCC(C)(C)C
InChIInChI=1S/C15H31F2NO/c1-13(2,3)8-7-9-18-10-15(16,17)12-19-11-14(4,5)6/h18H,7-12H2,1-6H3
InChIKeyUJTWXWZWRSKRSU-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.10
Rot. Bonds8

About N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine

N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine (PubChem CID 153306615) has the molecular formula C15H31F2NO and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine
PubChem CID153306615
Molecular FormulaC15H31F2NO
Molecular Weight279.42 g/mol
Exact Mass279.24
IUPAC NameN-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCCNCC(F)(F)COCC(C)(C)C
InChIInChI=1S/C15H31F2NO/c1-13(2,3)8-7-9-18-10-15(16,17)12-19-11-14(4,5)6/h18H,7-12H2,1-6H3
InChIKeyUJTWXWZWRSKRSU-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.10
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 N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine?
The IUPAC name of N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine (CID 153306615) is N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine.
What is the SMILES notation for N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine?
The canonical SMILES for N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine is CC(C)(C)CCCNCC(F)(F)COCC(C)(C)C.
What is the InChIKey of N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine?
The InChIKey is UJTWXWZWRSKRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F2NO/c1-13(2,3)8-7-9-18-10-15(16,17)12-19-11-14(4,5)6/h18H,7-12H2,1-6H3.
What are the key properties of N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine?
N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 153306615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).