1,1-difluoro-4-methoxy-4-methylpentan-2-amine

C7H15F2NO — CID 106676426

IUPAC1,1-difluoro-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)C(F)F
InChIInChI=1S/C7H15F2NO/c1-7(2,11-3)4-5(10)6(8)9/h5-6H,4,10H2,1-3H3
InChIKeyPZXSEZJHUMNCRK-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.39
Rot. Bonds4

About 1,1-difluoro-4-methoxy-4-methylpentan-2-amine

1,1-difluoro-4-methoxy-4-methylpentan-2-amine (PubChem CID 106676426) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 1,1-difluoro-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-4-methoxy-4-methylpentan-2-amine
PubChem CID106676426
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name1,1-difluoro-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)C(F)F
InChIInChI=1S/C7H15F2NO/c1-7(2,11-3)4-5(10)6(8)9/h5-6H,4,10H2,1-3H3
InChIKeyPZXSEZJHUMNCRK-UHFFFAOYSA-N
XLogP1.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.39
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-4-methylpentan-2-amine?
The IUPAC name of 1,1-difluoro-4-methoxy-4-methylpentan-2-amine (CID 106676426) is 1,1-difluoro-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1,1-difluoro-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1,1-difluoro-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(N)C(F)F.
What is the InChIKey of 1,1-difluoro-4-methoxy-4-methylpentan-2-amine?
The InChIKey is PZXSEZJHUMNCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-7(2,11-3)4-5(10)6(8)9/h5-6H,4,10H2,1-3H3.
What are the key properties of 1,1-difluoro-4-methoxy-4-methylpentan-2-amine?
1,1-difluoro-4-methoxy-4-methylpentan-2-amine has a molecular weight of 167.20 g/mol, XLogP of 1.39, 4 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-4-methylpentan-2-amine is sourced from PubChem (CID 106676426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).