3-(2,5-difluorophenyl)-3-(propylamino)butan-1-ol

C13H19F2NO — CID 65234559

IUPAC3-(2,5-difluorophenyl)-3-(propylamino)butan-1-ol
SMILESCCCNC(C)(CCO)c1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO/c1-3-7-16-13(2,6-8-17)11-9-10(14)4-5-12(11)15/h4-5,9,16-17H,3,6-8H2,1-2H3
InChIKeyHFVWEOINVVPLNX-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.56
Rot. Bonds6

About 3-(2,5-difluorophenyl)-3-(propylamino)butan-1-ol

3-(2,5-difluorophenyl)-3-(propylamino)butan-1-ol (PubChem CID 65234559) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-3-(propylamino)butan-1-ol
PubChem CID65234559
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name3-(2,5-difluorophenyl)-3-(propylamino)butan-1-ol
SMILESCCCNC(C)(CCO)c1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO/c1-3-7-16-13(2,6-8-17)11-9-10(14)4-5-12(11)15/h4-5,9,16-17H,3,6-8H2,1-2H3
InChIKeyHFVWEOINVVPLNX-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-3-(propylamino)butan-1-ol?
The IUPAC name of 3-(2,5-difluorophenyl)-3-(propylamino)butan-1-ol (CID 65234559) is 3-(2,5-difluorophenyl)-3-(propylamino)butan-1-ol.
What is the SMILES notation for 3-(2,5-difluorophenyl)-3-(propylamino)butan-1-ol?
The canonical SMILES for 3-(2,5-difluorophenyl)-3-(propylamino)butan-1-ol is CCCNC(C)(CCO)c1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-3-(propylamino)butan-1-ol?
The InChIKey is HFVWEOINVVPLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-3-7-16-13(2,6-8-17)11-9-10(14)4-5-12(11)15/h4-5,9,16-17H,3,6-8H2,1-2H3.
What are the key properties of 3-(2,5-difluorophenyl)-3-(propylamino)butan-1-ol?
3-(2,5-difluorophenyl)-3-(propylamino)butan-1-ol has a molecular weight of 243.30 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-3-(propylamino)butan-1-ol is sourced from PubChem (CID 65234559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).