2-(2,2-difluoroethoxy)cycloheptan-1-amine

C9H17F2NO — CID 82004445

IUPAC2-(2,2-difluoroethoxy)cycloheptan-1-amine
SMILESNC1CCCCCC1OCC(F)F
InChIInChI=1S/C9H17F2NO/c10-9(11)6-13-8-5-3-1-2-4-7(8)12/h7-9H,1-6,12H2
InChIKeyTYBPNFZHTPDEOK-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.93
Rot. Bonds3

About 2-(2,2-difluoroethoxy)cycloheptan-1-amine

2-(2,2-difluoroethoxy)cycloheptan-1-amine (PubChem CID 82004445) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)cycloheptan-1-amine
PubChem CID82004445
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-(2,2-difluoroethoxy)cycloheptan-1-amine
SMILESNC1CCCCCC1OCC(F)F
InChIInChI=1S/C9H17F2NO/c10-9(11)6-13-8-5-3-1-2-4-7(8)12/h7-9H,1-6,12H2
InChIKeyTYBPNFZHTPDEOK-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.93
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)cycloheptan-1-amine?
The IUPAC name of 2-(2,2-difluoroethoxy)cycloheptan-1-amine (CID 82004445) is 2-(2,2-difluoroethoxy)cycloheptan-1-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)cycloheptan-1-amine?
The canonical SMILES for 2-(2,2-difluoroethoxy)cycloheptan-1-amine is NC1CCCCCC1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)cycloheptan-1-amine?
The InChIKey is TYBPNFZHTPDEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)6-13-8-5-3-1-2-4-7(8)12/h7-9H,1-6,12H2.
What are the key properties of 2-(2,2-difluoroethoxy)cycloheptan-1-amine?
2-(2,2-difluoroethoxy)cycloheptan-1-amine has a molecular weight of 193.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)cycloheptan-1-amine is sourced from PubChem (CID 82004445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).