1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol

C9H20FNO — CID 142605700

IUPAC1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol
SMILESCC(O)CN(CC(C)F)C(C)C
InChIInChI=1S/C9H20FNO/c1-7(2)11(5-8(3)10)6-9(4)12/h7-9,12H,5-6H2,1-4H3
InChIKeyUAESSAGWLKFHMU-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.44
Rot. Bonds5

About 1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol

1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol (PubChem CID 142605700) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol
PubChem CID142605700
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol
SMILESCC(O)CN(CC(C)F)C(C)C
InChIInChI=1S/C9H20FNO/c1-7(2)11(5-8(3)10)6-9(4)12/h7-9,12H,5-6H2,1-4H3
InChIKeyUAESSAGWLKFHMU-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[propan-2-yl(propyl)amino]propan-2-ol
CID 103934934
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111107929
(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500
(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 106933609
1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111108072
(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
(2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol
CID 103934940
N-(2-fluoropropyl)-N-methylmethanesulfonamide
CID 142548580
N,2-difluoro-N-propan-2-ylpropan-1-amine
CID 171774217
1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol
CID 115882819
3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide
CID 111107973
1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107872

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol (CID 142605700) is 1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol is CC(O)CN(CC(C)F)C(C)C.
What is the InChIKey of 1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is UAESSAGWLKFHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-7(2)11(5-8(3)10)6-9(4)12/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol?
1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 177.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 142605700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).