(2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran

C10H13FO — CID 137417414

IUPAC(2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran
SMILESCC1C=C2O[C@H](C)CC2=CC1F
InChIInChI=1S/C10H13FO/c1-6-3-10-8(5-9(6)11)4-7(2)12-10/h3,5-7,9H,4H2,1-2H3/t6?,7-,9?/m1/s1
InChIKeyGWXOCJNVVZVSGC-KDIYEYIXSA-N
MW168.21 g/mol
LogP2.59
Rot. Bonds

About (2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran

(2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran (PubChem CID 137417414) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is (2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name(2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran
PubChem CID137417414
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name(2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran
SMILESCC1C=C2O[C@H](C)CC2=CC1F
InChIInChI=1S/C10H13FO/c1-6-3-10-8(5-9(6)11)4-7(2)12-10/h3,5-7,9H,4H2,1-2H3/t6?,7-,9?/m1/s1
InChIKeyGWXOCJNVVZVSGC-KDIYEYIXSA-N
XLogP2.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran?
The IUPAC name of (2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran (CID 137417414) is (2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran.
What is the SMILES notation for (2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran?
The canonical SMILES for (2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran is CC1C=C2O[C@H](C)CC2=CC1F.
What is the InChIKey of (2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran?
The InChIKey is GWXOCJNVVZVSGC-KDIYEYIXSA-N. The full InChI is InChI=1S/C10H13FO/c1-6-3-10-8(5-9(6)11)4-7(2)12-10/h3,5-7,9H,4H2,1-2H3/t6?,7-,9?/m1/s1.
What are the key properties of (2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran?
(2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran has a molecular weight of 168.21 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran is sourced from PubChem (CID 137417414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).