(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol

C9H9FO2 — CID 22012245

IUPAC(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
SMILESOCC1COc2ccc(F)cc21
InChIInChI=1S/C9H9FO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,6,11H,4-5H2
InChIKeyCIWZXJOBXQEOJK-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.29
Rot. Bonds1

About (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol

(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol (PubChem CID 22012245) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
PubChem CID22012245
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
SMILESOCC1COc2ccc(F)cc21
InChIInChI=1S/C9H9FO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,6,11H,4-5H2
InChIKeyCIWZXJOBXQEOJK-UHFFFAOYSA-N
XLogP1.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 55263545
O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117201919
(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
CID 58740911
[(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol
CID 130937445
methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 137332483
1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117201926
[(3S,3aS,9bR)-8-fluoro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-3-yl]methanol
CID 146120728
3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 82186946
4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol
CID 82188588
(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241121
4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene
CID 102418336
1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 83906491

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol?
The IUPAC name of (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol (CID 22012245) is (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol.
What is the SMILES notation for (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol?
The canonical SMILES for (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol is OCC1COc2ccc(F)cc21.
What is the InChIKey of (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol?
The InChIKey is CIWZXJOBXQEOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,6,11H,4-5H2.
What are the key properties of (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol?
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol has a molecular weight of 168.17 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol is sourced from PubChem (CID 22012245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).