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

C9H17F2NO — CID 171530771

IUPAC1-(5,5-difluoro-6-methyloxan-2-yl)-N,N-dimethylmethanamine
SMILESCC1OC(CN(C)C)CCC1(F)F
InChIInChI=1S/C9H17F2NO/c1-7-9(10,11)5-4-8(13-7)6-12(2)3/h7-8H,4-6H2,1-3H3
InChIKeyCFJWNABEHQZHEK-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds2

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

1-(5,5-difluoro-6-methyloxan-2-yl)-N,N-dimethylmethanamine (PubChem CID 171530771) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-(5,5-difluoro-6-methyloxan-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5,5-difluoro-6-methyloxan-2-yl)-N,N-dimethylmethanamine
PubChem CID171530771
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-(5,5-difluoro-6-methyloxan-2-yl)-N,N-dimethylmethanamine
SMILESCC1OC(CN(C)C)CCC1(F)F
InChIInChI=1S/C9H17F2NO/c1-7-9(10,11)5-4-8(13-7)6-12(2)3/h7-8H,4-6H2,1-3H3
InChIKeyCFJWNABEHQZHEK-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
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-methyloxan-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5,5-difluoro-6-methyloxan-2-yl)-N,N-dimethylmethanamine (CID 171530771) is 1-(5,5-difluoro-6-methyloxan-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5,5-difluoro-6-methyloxan-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5,5-difluoro-6-methyloxan-2-yl)-N,N-dimethylmethanamine is CC1OC(CN(C)C)CCC1(F)F.
What is the InChIKey of 1-(5,5-difluoro-6-methyloxan-2-yl)-N,N-dimethylmethanamine?
The InChIKey is CFJWNABEHQZHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7-9(10,11)5-4-8(13-7)6-12(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(5,5-difluoro-6-methyloxan-2-yl)-N,N-dimethylmethanamine?
1-(5,5-difluoro-6-methyloxan-2-yl)-N,N-dimethylmethanamine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 2 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-methyloxan-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 171530771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).