2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine

C11H21F2NO — CID 82004539

IUPAC2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine
SMILESCNC1CCCCCCC1OCC(F)F
InChIInChI=1S/C11H21F2NO/c1-14-9-6-4-2-3-5-7-10(9)15-8-11(12)13/h9-11,14H,2-8H2,1H3
InChIKeyVKVOIBHEEBFCNH-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.58
Rot. Bonds4

About 2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine

2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine (PubChem CID 82004539) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine
PubChem CID82004539
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine
SMILESCNC1CCCCCCC1OCC(F)F
InChIInChI=1S/C11H21F2NO/c1-14-9-6-4-2-3-5-7-10(9)15-8-11(12)13/h9-11,14H,2-8H2,1H3
InChIKeyVKVOIBHEEBFCNH-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine (CID 82004539) is 2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine is CNC1CCCCCCC1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine?
The InChIKey is VKVOIBHEEBFCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-14-9-6-4-2-3-5-7-10(9)15-8-11(12)13/h9-11,14H,2-8H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine?
2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine has a molecular weight of 221.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine is sourced from PubChem (CID 82004539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).