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

C8H17F2NO — CID 177282038

IUPAC(3R)-1-(difluoromethoxy)-5-methylhexan-3-amine
SMILESCC(C)C[C@@H](N)CCOC(F)F
InChIInChI=1S/C8H17F2NO/c1-6(2)5-7(11)3-4-12-8(9)10/h6-8H,3-5,11H2,1-2H3/t7-/m0/s1
InChIKeyANUNTAMTORJJHW-ZETCQYMHSA-N
MW181.23 g/mol
LogP1.99
Rot. Bonds6

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

(3R)-1-(difluoromethoxy)-5-methylhexan-3-amine (PubChem CID 177282038) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is (3R)-1-(difluoromethoxy)-5-methylhexan-3-amine.

Molecular Properties

Compound Name(3R)-1-(difluoromethoxy)-5-methylhexan-3-amine
PubChem CID177282038
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name(3R)-1-(difluoromethoxy)-5-methylhexan-3-amine
SMILESCC(C)C[C@@H](N)CCOC(F)F
InChIInChI=1S/C8H17F2NO/c1-6(2)5-7(11)3-4-12-8(9)10/h6-8H,3-5,11H2,1-2H3/t7-/m0/s1
InChIKeyANUNTAMTORJJHW-ZETCQYMHSA-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 (3R)-1-(difluoromethoxy)-5-methylhexan-3-amine?
The IUPAC name of (3R)-1-(difluoromethoxy)-5-methylhexan-3-amine (CID 177282038) is (3R)-1-(difluoromethoxy)-5-methylhexan-3-amine.
What is the SMILES notation for (3R)-1-(difluoromethoxy)-5-methylhexan-3-amine?
The canonical SMILES for (3R)-1-(difluoromethoxy)-5-methylhexan-3-amine is CC(C)C[C@@H](N)CCOC(F)F.
What is the InChIKey of (3R)-1-(difluoromethoxy)-5-methylhexan-3-amine?
The InChIKey is ANUNTAMTORJJHW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-6(2)5-7(11)3-4-12-8(9)10/h6-8H,3-5,11H2,1-2H3/t7-/m0/s1.
What are the key properties of (3R)-1-(difluoromethoxy)-5-methylhexan-3-amine?
(3R)-1-(difluoromethoxy)-5-methylhexan-3-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 (3R)-1-(difluoromethoxy)-5-methylhexan-3-amine is sourced from PubChem (CID 177282038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).