[4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid

C15H20FNO5 — CID 155103425

IUPAC[4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid
SMILESCOCCOCOc1cc(F)c2c(c1)CC(CNC(=O)O)C2
InChIInChI=1S/C15H20FNO5/c1-20-2-3-21-9-22-12-6-11-4-10(8-17-15(18)19)5-13(11)14(16)7-12/h6-7,10,17H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyCZHNVEUQKWWJNQ-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.81
Rot. Bonds8

About [4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid

[4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid (PubChem CID 155103425) has the molecular formula C15H20FNO5 and a molecular weight of 313.33 g/mol. Its IUPAC name is [4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid
PubChem CID155103425
Molecular FormulaC15H20FNO5
Molecular Weight313.33 g/mol
Exact Mass313.13
IUPAC Name[4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid
SMILESCOCCOCOc1cc(F)c2c(c1)CC(CNC(=O)O)C2
InChIInChI=1S/C15H20FNO5/c1-20-2-3-21-9-22-12-6-11-4-10(8-17-15(18)19)5-13(11)14(16)7-12/h6-7,10,17H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyCZHNVEUQKWWJNQ-UHFFFAOYSA-N
XLogP1.81
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(S)-N-[2-(2,3-Dihydro-6-methoxy-1H-inden-1-YL)ethyl]propanamide
CID 9816335
2,2,2-Trifluoro-N-[2-(6-methoxy-indan-1-yl)-ethyl]-acetamide
CID 9860698
(s)-1-[2-(Acetylamino)ethyl]-6-methoxyindan
CID 10988162
rac-N-[2-(2,3-Dihydro-6-methoxy-1H-inden-1-yl)ethyl]propanamide
CID 11053973
2,2,2-Trifluoro-N-[3-(6-methoxy-indan-1-yl)-propyl]-acetamide
CID 11066559
1-[2-(Acetylamino)ethyl]-6-methoxyindan
CID 15523939
2,2,2-trifluoro-N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 21996451
(R) N-[2-(6-Methoxy-indan-1-yl)-ethyl]-propionamide
CID 10933826
N-[2-[(1R)-6-Methoxyindan-1beta-yl]ethyl]-2,2,2-trifluoroacetamide
CID 11044386
N-[2-(5,6-Dimethoxy-indan-1-yl)-ethyl]-acetamide
CID 11076291
(R)-1-[2-(acetylamino)ethyl]-6-methoxyindan
CID 11117958
N-[2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 21996521

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid?
The IUPAC name of [4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid (CID 155103425) is [4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid.
What is the SMILES notation for [4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid?
The canonical SMILES for [4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid is COCCOCOc1cc(F)c2c(c1)CC(CNC(=O)O)C2.
What is the InChIKey of [4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid?
The InChIKey is CZHNVEUQKWWJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO5/c1-20-2-3-21-9-22-12-6-11-4-10(8-17-15(18)19)5-13(11)14(16)7-12/h6-7,10,17H,2-5,8-9H2,1H3,(H,18,19).
What are the key properties of [4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid?
[4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid has a molecular weight of 313.33 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid is sourced from PubChem (CID 155103425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).