2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine

C13H25F2NO — CID 82003841

IUPAC2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)(C)CC1OCC(F)F
InChIInChI=1S/C13H25F2NO/c1-4-7-16-10-5-6-13(2,3)8-11(10)17-9-12(14)15/h10-12,16H,4-9H2,1-3H3
InChIKeyCEZXJSXOSLVDOB-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.21
Rot. Bonds6

About 2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine

2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 82003841) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine
PubChem CID82003841
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)(C)CC1OCC(F)F
InChIInChI=1S/C13H25F2NO/c1-4-7-16-10-5-6-13(2,3)8-11(10)17-9-12(14)15/h10-12,16H,4-9H2,1-3H3
InChIKeyCEZXJSXOSLVDOB-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674990
2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091
7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 82004248
2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 66321323
2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 66231563
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 63685078
2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64609722
3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine
CID 82004456
3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
CID 114342843
2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64659067
2-(2-bromophenyl)sulfanyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64614754

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine (CID 82003841) is 2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)(C)CC1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is CEZXJSXOSLVDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-4-7-16-10-5-6-13(2,3)8-11(10)17-9-12(14)15/h10-12,16H,4-9H2,1-3H3.
What are the key properties of 2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine?
2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 249.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 82003841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).