1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine

C11H23F2NO — CID 80605536

IUPAC1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(C)(CC(C)(C)OC)C(F)F
InChIInChI=1S/C11H23F2NO/c1-6-7-14-11(4,9(12)13)8-10(2,3)15-5/h9,14H,6-8H2,1-5H3
InChIKeyKTFABWSHTFGLDV-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.82
Rot. Bonds7

About 1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine

1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine (PubChem CID 80605536) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is 1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
PubChem CID80605536
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Name1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(C)(CC(C)(C)OC)C(F)F
InChIInChI=1S/C11H23F2NO/c1-6-7-14-11(4,9(12)13)8-10(2,3)15-5/h9,14H,6-8H2,1-5H3
InChIKeyKTFABWSHTFGLDV-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine?
The IUPAC name of 1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine (CID 80605536) is 1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine.
What is the SMILES notation for 1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine?
The canonical SMILES for 1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine is CCCNC(C)(CC(C)(C)OC)C(F)F.
What is the InChIKey of 1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine?
The InChIKey is KTFABWSHTFGLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO/c1-6-7-14-11(4,9(12)13)8-10(2,3)15-5/h9,14H,6-8H2,1-5H3.
What are the key properties of 1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine?
1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine has a molecular weight of 223.31 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine is sourced from PubChem (CID 80605536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).