3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine

C12H25F2NO — CID 146549602

IUPAC3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCC(F)(F)CCOC(C)(C)C
InChIInChI=1S/C12H25F2NO/c1-10(2)15-8-6-12(13,14)7-9-16-11(3,4)5/h10,15H,6-9H2,1-5H3
InChIKeyPDXPTCJICPBOIT-UHFFFAOYSA-N
MW237.33 g/mol
LogP3.21
Rot. Bonds7

About 3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine

3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine (PubChem CID 146549602) has the molecular formula C12H25F2NO and a molecular weight of 237.33 g/mol. Its IUPAC name is 3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine
PubChem CID146549602
Molecular FormulaC12H25F2NO
Molecular Weight237.33 g/mol
Exact Mass237.19
IUPAC Name3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCC(F)(F)CCOC(C)(C)C
InChIInChI=1S/C12H25F2NO/c1-10(2)15-8-6-12(13,14)7-9-16-11(3,4)5/h10,15H,6-9H2,1-5H3
InChIKeyPDXPTCJICPBOIT-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine (CID 146549602) is 3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine is CC(C)NCCC(F)(F)CCOC(C)(C)C.
What is the InChIKey of 3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine?
The InChIKey is PDXPTCJICPBOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F2NO/c1-10(2)15-8-6-12(13,14)7-9-16-11(3,4)5/h10,15H,6-9H2,1-5H3.
What are the key properties of 3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine?
3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine has a molecular weight of 237.33 g/mol, XLogP of 3.21, 7 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-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 146549602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).