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

C14H29F2NO — CID 156566719

IUPACN-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine
SMILESCC(C)CCCNCC(F)(F)COCC(C)(C)C
InChIInChI=1S/C14H29F2NO/c1-12(2)7-6-8-17-9-14(15,16)11-18-10-13(3,4)5/h12,17H,6-11H2,1-5H3
InChIKeyGQVFODCQKOYCFX-UHFFFAOYSA-N
MW265.39 g/mol
LogP3.71
Rot. Bonds9

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

N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine (PubChem CID 156566719) has the molecular formula C14H29F2NO and a molecular weight of 265.39 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine
PubChem CID156566719
Molecular FormulaC14H29F2NO
Molecular Weight265.39 g/mol
Exact Mass265.22
IUPAC NameN-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine
SMILESCC(C)CCCNCC(F)(F)COCC(C)(C)C
InChIInChI=1S/C14H29F2NO/c1-12(2)7-6-8-17-9-14(15,16)11-18-10-13(3,4)5/h12,17H,6-11H2,1-5H3
InChIKeyGQVFODCQKOYCFX-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 53.71
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-methylpentan-1-amine?
The IUPAC name of N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine (CID 156566719) is N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine?
The canonical SMILES for N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine is CC(C)CCCNCC(F)(F)COCC(C)(C)C.
What is the InChIKey of N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine?
The InChIKey is GQVFODCQKOYCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F2NO/c1-12(2)7-6-8-17-9-14(15,16)11-18-10-13(3,4)5/h12,17H,6-11H2,1-5H3.
What are the key properties of N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine?
N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine has a molecular weight of 265.39 g/mol, XLogP of 3.71, 9 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-methylpentan-1-amine is sourced from PubChem (CID 156566719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).