(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran

C10H11FO2 — CID 58740911

IUPAC(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
SMILESCOC[C@H]1COc2ccc(F)cc21
InChIInChI=1S/C10H11FO2/c1-12-5-7-6-13-10-3-2-8(11)4-9(7)10/h2-4,7H,5-6H2,1H3/t7-/m0/s1
InChIKeyBXBFQJZUKSMRQW-ZETCQYMHSA-N
MW182.19 g/mol
LogP1.95
Rot. Bonds2

About (3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran

(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran (PubChem CID 58740911) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
PubChem CID58740911
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
SMILESCOC[C@H]1COc2ccc(F)cc21
InChIInChI=1S/C10H11FO2/c1-12-5-7-6-13-10-3-2-8(11)4-9(7)10/h2-4,7H,5-6H2,1H3/t7-/m0/s1
InChIKeyBXBFQJZUKSMRQW-ZETCQYMHSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of (3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran (CID 58740911) is (3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for (3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran is COC[C@H]1COc2ccc(F)cc21.
What is the InChIKey of (3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is BXBFQJZUKSMRQW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11FO2/c1-12-5-7-6-13-10-3-2-8(11)4-9(7)10/h2-4,7H,5-6H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran?
(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 182.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 58740911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).