(3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran

C10H10F2O2 — CID 125488470

IUPAC(3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran
SMILESCOc1ccc2c(c1)[C@@H](C(F)F)CO2
InChIInChI=1S/C10H10F2O2/c1-13-6-2-3-9-7(4-6)8(5-14-9)10(11)12/h2-4,8,10H,5H2,1H3/t8-/m0/s1
InChIKeyLVRBHTMNFYNWNB-QMMMGPOBSA-N
MW200.18 g/mol
LogP2.44
Rot. Bonds2

About (3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran

(3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran (PubChem CID 125488470) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is (3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran
PubChem CID125488470
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name(3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran
SMILESCOc1ccc2c(c1)[C@@H](C(F)F)CO2
InChIInChI=1S/C10H10F2O2/c1-13-6-2-3-9-7(4-6)8(5-14-9)10(11)12/h2-4,8,10H,5H2,1H3/t8-/m0/s1
InChIKeyLVRBHTMNFYNWNB-QMMMGPOBSA-N
XLogP2.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
6-methoxy-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 155736305
5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43511932
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 134850979
O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117202333
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)propan-2-one
CID 117202321
4-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpiperidine
CID 178102409
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117202343
3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine
CID 178102600
9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine
CID 83888852
6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran?
The IUPAC name of (3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran (CID 125488470) is (3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran?
The canonical SMILES for (3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran is COc1ccc2c(c1)[C@@H](C(F)F)CO2.
What is the InChIKey of (3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran?
The InChIKey is LVRBHTMNFYNWNB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-13-6-2-3-9-7(4-6)8(5-14-9)10(11)12/h2-4,8,10H,5H2,1H3/t8-/m0/s1.
What are the key properties of (3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran?
(3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran has a molecular weight of 200.18 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 125488470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).