(2R)-4-(difluoromethoxy)-N-ethyl-N-methylbutan-2-amine

C8H17F2NO — CID 162615305

IUPAC(2R)-4-(difluoromethoxy)-N-ethyl-N-methylbutan-2-amine
SMILESCCN(C)[C@H](C)CCOC(F)F
InChIInChI=1S/C8H17F2NO/c1-4-11(3)7(2)5-6-12-8(9)10/h7-8H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyPYXYFILMXDZIDH-SSDOTTSWSA-N
MW181.23 g/mol
LogP1.96
Rot. Bonds6

About (2R)-4-(difluoromethoxy)-N-ethyl-N-methylbutan-2-amine

(2R)-4-(difluoromethoxy)-N-ethyl-N-methylbutan-2-amine (PubChem CID 162615305) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is (2R)-4-(difluoromethoxy)-N-ethyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-4-(difluoromethoxy)-N-ethyl-N-methylbutan-2-amine
PubChem CID162615305
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name(2R)-4-(difluoromethoxy)-N-ethyl-N-methylbutan-2-amine
SMILESCCN(C)[C@H](C)CCOC(F)F
InChIInChI=1S/C8H17F2NO/c1-4-11(3)7(2)5-6-12-8(9)10/h7-8H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyPYXYFILMXDZIDH-SSDOTTSWSA-N
XLogP1.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(difluoromethoxy)-N-ethyl-N-methylbutan-2-amine?
The IUPAC name of (2R)-4-(difluoromethoxy)-N-ethyl-N-methylbutan-2-amine (CID 162615305) is (2R)-4-(difluoromethoxy)-N-ethyl-N-methylbutan-2-amine.
What is the SMILES notation for (2R)-4-(difluoromethoxy)-N-ethyl-N-methylbutan-2-amine?
The canonical SMILES for (2R)-4-(difluoromethoxy)-N-ethyl-N-methylbutan-2-amine is CCN(C)[C@H](C)CCOC(F)F.
What is the InChIKey of (2R)-4-(difluoromethoxy)-N-ethyl-N-methylbutan-2-amine?
The InChIKey is PYXYFILMXDZIDH-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-4-11(3)7(2)5-6-12-8(9)10/h7-8H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-4-(difluoromethoxy)-N-ethyl-N-methylbutan-2-amine?
(2R)-4-(difluoromethoxy)-N-ethyl-N-methylbutan-2-amine has a molecular weight of 181.23 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(difluoromethoxy)-N-ethyl-N-methylbutan-2-amine is sourced from PubChem (CID 162615305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).