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

C15H18F2N2O2 — CID 176862202

IUPAC3-[2-[(2S)-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-/m0/s1
InChIKeyIPZHYHPFCISYJY-AWEZNQCLSA-N
MW296.32 g/mol
LogP2.99
Rot. Bonds6

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

3-[2-[(2S)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole (PubChem CID 176862202) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-[2-[(2S)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[2-[(2S)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole
PubChem CID176862202
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name3-[2-[(2S)-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-/m0/s1
InChIKeyIPZHYHPFCISYJY-AWEZNQCLSA-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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Related Compounds

3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole
CID 176862274
3-[2-[4-(difluoromethoxymethyl)azepan-1-yl]ethyl]-5-methoxy-1H-indole
CID 176862217
3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
CID 170277434
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854734
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine
CID 102230597
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
3-(2-cyclohexylethyl)-5-methoxy-1H-indole
CID 106985417
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
CID 23283702
3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854698

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[2-[(2S)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole (CID 176862202) is 3-[2-[(2S)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[2-[(2S)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[2-[(2S)-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-[(2S)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole?
The InChIKey is IPZHYHPFCISYJY-AWEZNQCLSA-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-/m0/s1.
What are the key properties of 3-[2-[(2S)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole?
3-[2-[(2S)-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-[(2S)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole is sourced from PubChem (CID 176862202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).