3-(difluoromethoxy)-5-methylhexan-1-amine

C8H17F2NO — CID 84718521

IUPAC3-(difluoromethoxy)-5-methylhexan-1-amine
SMILESCC(C)CC(CCN)OC(F)F
InChIInChI=1S/C8H17F2NO/c1-6(2)5-7(3-4-11)12-8(9)10/h6-8H,3-5,11H2,1-2H3
InChIKeyYBGRIHXCDBKVPD-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.99
Rot. Bonds6

About 3-(difluoromethoxy)-5-methylhexan-1-amine

3-(difluoromethoxy)-5-methylhexan-1-amine (PubChem CID 84718521) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-methylhexan-1-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-methylhexan-1-amine
PubChem CID84718521
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name3-(difluoromethoxy)-5-methylhexan-1-amine
SMILESCC(C)CC(CCN)OC(F)F
InChIInChI=1S/C8H17F2NO/c1-6(2)5-7(3-4-11)12-8(9)10/h6-8H,3-5,11H2,1-2H3
InChIKeyYBGRIHXCDBKVPD-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-methylhexan-1-amine?
The IUPAC name of 3-(difluoromethoxy)-5-methylhexan-1-amine (CID 84718521) is 3-(difluoromethoxy)-5-methylhexan-1-amine.
What is the SMILES notation for 3-(difluoromethoxy)-5-methylhexan-1-amine?
The canonical SMILES for 3-(difluoromethoxy)-5-methylhexan-1-amine is CC(C)CC(CCN)OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-5-methylhexan-1-amine?
The InChIKey is YBGRIHXCDBKVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-6(2)5-7(3-4-11)12-8(9)10/h6-8H,3-5,11H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-5-methylhexan-1-amine?
3-(difluoromethoxy)-5-methylhexan-1-amine has a molecular weight of 181.23 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-methylhexan-1-amine is sourced from PubChem (CID 84718521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).