2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine

C13H13F6NO — CID 102721883

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H13F6NO/c14-12(15,16)11(13(17,18)19)21-9-6-5-7-3-1-2-4-8(7)10(9)20/h1-4,9-11H,5-6,20H2
InChIKeyYRNDQUAYJLRSPE-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.51
Rot. Bonds2

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 102721883) has the molecular formula C13H13F6NO and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID102721883
Molecular FormulaC13H13F6NO
Molecular Weight313.24 g/mol
Exact Mass313.09
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H13F6NO/c14-12(15,16)11(13(17,18)19)21-9-6-5-7-3-1-2-4-8(7)10(9)20/h1-4,9-11H,5-6,20H2
InChIKeyYRNDQUAYJLRSPE-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 102721883) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine is NC1c2ccccc2CCC1OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is YRNDQUAYJLRSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6NO/c14-12(15,16)11(13(17,18)19)21-9-6-5-7-3-1-2-4-8(7)10(9)20/h1-4,9-11H,5-6,20H2.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 313.24 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 102721883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).