3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole

C15H18F2N2O2 — CID 176862274

IUPAC3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CCN3CC[C@H]3OC(F)F)c2c1
InChIInChI=1S/C15H18F2N2O2/c1-20-11-2-3-13-12(8-11)10(9-18-13)4-6-19-7-5-14(19)21-15(16)17/h2-3,8-9,14-15,18H,4-7H2,1H3/t14-/m1/s1
InChIKeyIPZHYHPFCISYJY-CQSZACIVSA-N
MW296.32 g/mol
LogP2.99
Rot. Bonds6

About 3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole

3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole (PubChem CID 176862274) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole
PubChem CID176862274
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CCN3CC[C@H]3OC(F)F)c2c1
InChIInChI=1S/C15H18F2N2O2/c1-20-11-2-3-13-12(8-11)10(9-18-13)4-6-19-7-5-14(19)21-15(16)17/h2-3,8-9,14-15,18H,4-7H2,1H3/t14-/m1/s1
InChIKeyIPZHYHPFCISYJY-CQSZACIVSA-N
XLogP2.99
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole (CID 176862274) is 3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(CCN3CC[C@H]3OC(F)F)c2c1.
What is the InChIKey of 3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole?
The InChIKey is IPZHYHPFCISYJY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-20-11-2-3-13-12(8-11)10(9-18-13)4-6-19-7-5-14(19)21-15(16)17/h2-3,8-9,14-15,18H,4-7H2,1H3/t14-/m1/s1.
What are the key properties of 3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole?
3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole has a molecular weight of 296.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole is sourced from PubChem (CID 176862274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).