1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine

C11H21F2NO — CID 176992311

IUPAC1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine
SMILESCC(C)C1OC(CN(C)C)CCC1(F)F
InChIInChI=1S/C11H21F2NO/c1-8(2)10-11(12,13)6-5-9(15-10)7-14(3)4/h8-10H,5-7H2,1-4H3
InChIKeyBPYSVQRONKANBN-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.39
Rot. Bonds3

About 1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine

1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine (PubChem CID 176992311) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine
PubChem CID176992311
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine
SMILESCC(C)C1OC(CN(C)C)CCC1(F)F
InChIInChI=1S/C11H21F2NO/c1-8(2)10-11(12,13)6-5-9(15-10)7-14(3)4/h8-10H,5-7H2,1-4H3
InChIKeyBPYSVQRONKANBN-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine (CID 176992311) is 1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine is CC(C)C1OC(CN(C)C)CCC1(F)F.
What is the InChIKey of 1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine?
The InChIKey is BPYSVQRONKANBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-8(2)10-11(12,13)6-5-9(15-10)7-14(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine?
1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine has a molecular weight of 221.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-difluoro-6-propan-2-yloxan-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 176992311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).