(2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol

C11H14FNO — CID 141040580

IUPAC(2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol
SMILESO[C@@H](CF)CN1Cc2ccccc2C1
InChIInChI=1S/C11H14FNO/c12-5-11(14)8-13-6-9-3-1-2-4-10(9)7-13/h1-4,11,14H,5-8H2/t11-/m0/s1
InChIKeyOYXOHAACFZJZAT-NSHDSACASA-N
MW195.24 g/mol
LogP1.33
Rot. Bonds3

About (2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol

(2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol (PubChem CID 141040580) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol
PubChem CID141040580
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol
SMILESO[C@@H](CF)CN1Cc2ccccc2C1
InChIInChI=1S/C11H14FNO/c12-5-11(14)8-13-6-9-3-1-2-4-10(9)7-13/h1-4,11,14H,5-8H2/t11-/m0/s1
InChIKeyOYXOHAACFZJZAT-NSHDSACASA-N
XLogP1.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol?
The IUPAC name of (2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol (CID 141040580) is (2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol.
What is the SMILES notation for (2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol?
The canonical SMILES for (2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol is O[C@@H](CF)CN1Cc2ccccc2C1.
What is the InChIKey of (2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol?
The InChIKey is OYXOHAACFZJZAT-NSHDSACASA-N. The full InChI is InChI=1S/C11H14FNO/c12-5-11(14)8-13-6-9-3-1-2-4-10(9)7-13/h1-4,11,14H,5-8H2/t11-/m0/s1.
What are the key properties of (2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol?
(2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol has a molecular weight of 195.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,3-dihydroisoindol-2-yl)-3-fluoropropan-2-ol is sourced from PubChem (CID 141040580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).