1,1-difluoro-5-methoxy-5-methylhexan-2-amine

C8H17F2NO — CID 103517297

IUPAC1,1-difluoro-5-methoxy-5-methylhexan-2-amine
SMILESCOC(C)(C)CCC(N)C(F)F
InChIInChI=1S/C8H17F2NO/c1-8(2,12-3)5-4-6(11)7(9)10/h6-7H,4-5,11H2,1-3H3
InChIKeyVAGMFJWEFGEMRC-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.78
Rot. Bonds5

About 1,1-difluoro-5-methoxy-5-methylhexan-2-amine

1,1-difluoro-5-methoxy-5-methylhexan-2-amine (PubChem CID 103517297) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 1,1-difluoro-5-methoxy-5-methylhexan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-5-methoxy-5-methylhexan-2-amine
PubChem CID103517297
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name1,1-difluoro-5-methoxy-5-methylhexan-2-amine
SMILESCOC(C)(C)CCC(N)C(F)F
InChIInChI=1S/C8H17F2NO/c1-8(2,12-3)5-4-6(11)7(9)10/h6-7H,4-5,11H2,1-3H3
InChIKeyVAGMFJWEFGEMRC-UHFFFAOYSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-5-methoxy-5-methylhexan-2-amine?
The IUPAC name of 1,1-difluoro-5-methoxy-5-methylhexan-2-amine (CID 103517297) is 1,1-difluoro-5-methoxy-5-methylhexan-2-amine.
What is the SMILES notation for 1,1-difluoro-5-methoxy-5-methylhexan-2-amine?
The canonical SMILES for 1,1-difluoro-5-methoxy-5-methylhexan-2-amine is COC(C)(C)CCC(N)C(F)F.
What is the InChIKey of 1,1-difluoro-5-methoxy-5-methylhexan-2-amine?
The InChIKey is VAGMFJWEFGEMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-8(2,12-3)5-4-6(11)7(9)10/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 1,1-difluoro-5-methoxy-5-methylhexan-2-amine?
1,1-difluoro-5-methoxy-5-methylhexan-2-amine has a molecular weight of 181.23 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-5-methoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103517297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).