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

C10H19F2NO — CID 64551901

IUPAC1-(2,2-difluoroethoxymethyl)cycloheptan-1-amine
SMILESNC1(COCC(F)F)CCCCCC1
InChIInChI=1S/C10H19F2NO/c11-9(12)7-14-8-10(13)5-3-1-2-4-6-10/h9H,1-8,13H2
InChIKeyDRZLABLENJPDHR-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.32
Rot. Bonds4

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

1-(2,2-difluoroethoxymethyl)cycloheptan-1-amine (PubChem CID 64551901) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxymethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxymethyl)cycloheptan-1-amine
PubChem CID64551901
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-(2,2-difluoroethoxymethyl)cycloheptan-1-amine
SMILESNC1(COCC(F)F)CCCCCC1
InChIInChI=1S/C10H19F2NO/c11-9(12)7-14-8-10(13)5-3-1-2-4-6-10/h9H,1-8,13H2
InChIKeyDRZLABLENJPDHR-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxymethyl)cycloheptan-1-amine?
The IUPAC name of 1-(2,2-difluoroethoxymethyl)cycloheptan-1-amine (CID 64551901) is 1-(2,2-difluoroethoxymethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxymethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(2,2-difluoroethoxymethyl)cycloheptan-1-amine is NC1(COCC(F)F)CCCCCC1.
What is the InChIKey of 1-(2,2-difluoroethoxymethyl)cycloheptan-1-amine?
The InChIKey is DRZLABLENJPDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c11-9(12)7-14-8-10(13)5-3-1-2-4-6-10/h9H,1-8,13H2.
What are the key properties of 1-(2,2-difluoroethoxymethyl)cycloheptan-1-amine?
1-(2,2-difluoroethoxymethyl)cycloheptan-1-amine has a molecular weight of 207.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxymethyl)cycloheptan-1-amine is sourced from PubChem (CID 64551901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).