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

C10H19F2NO — CID 82004238

IUPAC2-(2,2-difluoroethoxy)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1OCC(F)F
InChIInChI=1S/C10H19F2NO/c1-13-8-5-3-2-4-6-9(8)14-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyDTOWMJIAMPBWPP-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.19
Rot. Bonds4

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

2-(2,2-difluoroethoxy)-N-methylcycloheptan-1-amine (PubChem CID 82004238) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-methylcycloheptan-1-amine
PubChem CID82004238
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2-(2,2-difluoroethoxy)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1OCC(F)F
InChIInChI=1S/C10H19F2NO/c1-13-8-5-3-2-4-6-9(8)14-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyDTOWMJIAMPBWPP-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.19
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-methylcycloheptan-1-amine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-methylcycloheptan-1-amine (CID 82004238) is 2-(2,2-difluoroethoxy)-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-methylcycloheptan-1-amine is CNC1CCCCCC1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-methylcycloheptan-1-amine?
The InChIKey is DTOWMJIAMPBWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-13-8-5-3-2-4-6-9(8)14-7-10(11)12/h8-10,13H,2-7H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-methylcycloheptan-1-amine?
2-(2,2-difluoroethoxy)-N-methylcycloheptan-1-amine has a molecular weight of 207.26 g/mol, XLogP of 2.19, 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-methylcycloheptan-1-amine is sourced from PubChem (CID 82004238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).