3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol

C13H23F2NO — CID 113463346

IUPAC3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CCC2CCCCC2C1
InChIInChI=1S/C13H23F2NO/c14-13(15,9-17)8-16-12-6-5-10-3-1-2-4-11(10)7-12/h10-12,16-17H,1-9H2
InChIKeyDJQYBVFWJIGEIH-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.56
Rot. Bonds4

About 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol

3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol (PubChem CID 113463346) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol
PubChem CID113463346
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CCC2CCCCC2C1
InChIInChI=1S/C13H23F2NO/c14-13(15,9-17)8-16-12-6-5-10-3-1-2-4-11(10)7-12/h10-12,16-17H,1-9H2
InChIKeyDJQYBVFWJIGEIH-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol (CID 113463346) is 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol is OCC(F)(F)CNC1CCC2CCCCC2C1.
What is the InChIKey of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol?
The InChIKey is DJQYBVFWJIGEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c14-13(15,9-17)8-16-12-6-5-10-3-1-2-4-11(10)7-12/h10-12,16-17H,1-9H2.
What are the key properties of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol?
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol has a molecular weight of 247.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 113463346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).