6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine

C14H19F2NO — CID 79834962

IUPAC6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(Oc2cc(F)cc(F)c2)C1N
InChIInChI=1S/C14H19F2NO/c1-14(2)5-3-4-12(13(14)17)18-11-7-9(15)6-10(16)8-11/h6-8,12-13H,3-5,17H2,1-2H3
InChIKeyHSAZEOCUISYMTD-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.25
Rot. Bonds2

About 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine

6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79834962) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine
PubChem CID79834962
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(Oc2cc(F)cc(F)c2)C1N
InChIInChI=1S/C14H19F2NO/c1-14(2)5-3-4-12(13(14)17)18-11-7-9(15)6-10(16)8-11/h6-8,12-13H,3-5,17H2,1-2H3
InChIKeyHSAZEOCUISYMTD-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine (CID 79834962) is 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCC(Oc2cc(F)cc(F)c2)C1N.
What is the InChIKey of 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is HSAZEOCUISYMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-14(2)5-3-4-12(13(14)17)18-11-7-9(15)6-10(16)8-11/h6-8,12-13H,3-5,17H2,1-2H3.
What are the key properties of 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine?
6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenoxy)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79834962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).