4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-ol

C12H14F2O2 — CID 67815244

IUPAC4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-ol
SMILESCOC(c1cccc2c1CCC2O)C(F)F
InChIInChI=1S/C12H14F2O2/c1-16-11(12(13)14)9-4-2-3-8-7(9)5-6-10(8)15/h2-4,10-12,15H,5-6H2,1H3
InChIKeyOIXJEUAQBJEBAB-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.62
Rot. Bonds3

About 4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-ol

4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 67815244) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID67815244
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-ol
SMILESCOC(c1cccc2c1CCC2O)C(F)F
InChIInChI=1S/C12H14F2O2/c1-16-11(12(13)14)9-4-2-3-8-7(9)5-6-10(8)15/h2-4,10-12,15H,5-6H2,1H3
InChIKeyOIXJEUAQBJEBAB-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(+/-)-trans-(3-(3,5-Bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl)methanol
CID 44415444
7-methyl-2,3-dihydro-1H-inden-1-ol
CID 23082867
(1R)-6-methyl-2,3-dihydro-1H-inden-1-ol
CID 11607933
(1S)-4-Methylindan-1-ol
CID 11615192
(r)-4-Methyl-indan-1-ol
CID 11629630
(1S)-6-methyl-2,3-dihydro-1H-inden-1-ol
CID 11643947
6-Methyl-2,3-dihydro-1H-inden-1-ol
CID 12337217
2,3-Dihydro-1-methoxy-1H-inden-2-ol
CID 143339
1H-Inden-1-ol, 2-fluoro-2,3-dihydro-, (1R,2S)-
CID 12167272
(7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol
CID 10704751
2-Ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59493094
2-(Methoxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59493019

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-ol (CID 67815244) is 4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-ol is COC(c1cccc2c1CCC2O)C(F)F.
What is the InChIKey of 4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is OIXJEUAQBJEBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-16-11(12(13)14)9-4-2-3-8-7(9)5-6-10(8)15/h2-4,10-12,15H,5-6H2,1H3.
What are the key properties of 4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-ol?
4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 228.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 67815244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).