(4-fluoro-1,3-dihydroisoindol-2-yl)methanol

C9H10FNO — CID 123566912

IUPAC(4-fluoro-1,3-dihydroisoindol-2-yl)methanol
SMILESOCN1Cc2cccc(F)c2C1
InChIInChI=1S/C9H10FNO/c10-9-3-1-2-7-4-11(6-12)5-8(7)9/h1-3,12H,4-6H2
InChIKeyTWFSFCUZEZGMJZ-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.09
Rot. Bonds1

About (4-fluoro-1,3-dihydroisoindol-2-yl)methanol

(4-fluoro-1,3-dihydroisoindol-2-yl)methanol (PubChem CID 123566912) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (4-fluoro-1,3-dihydroisoindol-2-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-1,3-dihydroisoindol-2-yl)methanol
PubChem CID123566912
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(4-fluoro-1,3-dihydroisoindol-2-yl)methanol
SMILESOCN1Cc2cccc(F)c2C1
InChIInChI=1S/C9H10FNO/c10-9-3-1-2-7-4-11(6-12)5-8(7)9/h1-3,12H,4-6H2
InChIKeyTWFSFCUZEZGMJZ-UHFFFAOYSA-N
XLogP1.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1,3-dihydroisoindol-2-yl)methanol?
The IUPAC name of (4-fluoro-1,3-dihydroisoindol-2-yl)methanol (CID 123566912) is (4-fluoro-1,3-dihydroisoindol-2-yl)methanol.
What is the SMILES notation for (4-fluoro-1,3-dihydroisoindol-2-yl)methanol?
The canonical SMILES for (4-fluoro-1,3-dihydroisoindol-2-yl)methanol is OCN1Cc2cccc(F)c2C1.
What is the InChIKey of (4-fluoro-1,3-dihydroisoindol-2-yl)methanol?
The InChIKey is TWFSFCUZEZGMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-9-3-1-2-7-4-11(6-12)5-8(7)9/h1-3,12H,4-6H2.
What are the key properties of (4-fluoro-1,3-dihydroisoindol-2-yl)methanol?
(4-fluoro-1,3-dihydroisoindol-2-yl)methanol has a molecular weight of 167.18 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1,3-dihydroisoindol-2-yl)methanol is sourced from PubChem (CID 123566912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).