3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine

C12H25F2NO — CID 126619717

IUPAC3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine
SMILESCC(C)COCCC(F)(F)CCNC(C)C
InChIInChI=1S/C12H25F2NO/c1-10(2)9-16-8-6-12(13,14)5-7-15-11(3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyNDMYJZLJKGLOGV-UHFFFAOYSA-N
MW237.33 g/mol
LogP3.07
Rot. Bonds9

About 3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine

3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine (PubChem CID 126619717) has the molecular formula C12H25F2NO and a molecular weight of 237.33 g/mol. Its IUPAC name is 3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine
PubChem CID126619717
Molecular FormulaC12H25F2NO
Molecular Weight237.33 g/mol
Exact Mass237.19
IUPAC Name3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine
SMILESCC(C)COCCC(F)(F)CCNC(C)C
InChIInChI=1S/C12H25F2NO/c1-10(2)9-16-8-6-12(13,14)5-7-15-11(3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyNDMYJZLJKGLOGV-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 53.07
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 3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine (CID 126619717) is 3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine is CC(C)COCCC(F)(F)CCNC(C)C.
What is the InChIKey of 3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine?
The InChIKey is NDMYJZLJKGLOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F2NO/c1-10(2)9-16-8-6-12(13,14)5-7-15-11(3)4/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine?
3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine has a molecular weight of 237.33 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 126619717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).