(1S)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol

C10H10F2O2 — CID 67812138

IUPAC(1S)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2c(OC(F)F)cccc21
InChIInChI=1S/C10H10F2O2/c11-10(12)14-9-3-1-2-6-7(9)4-5-8(6)13/h1-3,8,10,13H,4-5H2/t8-/m0/s1
InChIKeyWEEDYGRCSMXCDO-QMMMGPOBSA-N
MW200.18 g/mol
LogP2.27
Rot. Bonds2

About (1S)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol

(1S)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol (PubChem CID 67812138) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is (1S)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol
PubChem CID67812138
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name(1S)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2c(OC(F)F)cccc21
InChIInChI=1S/C10H10F2O2/c11-10(12)14-9-3-1-2-6-7(9)4-5-8(6)13/h1-3,8,10,13H,4-5H2/t8-/m0/s1
InChIKeyWEEDYGRCSMXCDO-QMMMGPOBSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 122506276
2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
2,2,2-Trifluoro-1-(3-methoxyphenyl)ethanol
CID 2829249
2-(5-Hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492843
2-(6-Hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492866
1,2-Etanodiol, 1-(2,3-dihidro-4-benzofuranil)-, (1S)-
CID 101000243
(3-Methoxy-2-methylphenyl)methanol
CID 15578709
4-(3,5-Difluorophenoxy)-7-dimethylphosphoryl-2,2-difluoro-1,3-dihydroinden-1-ol
CID 141758062
4-(Hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59493171
3-Methoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492487
2-Methoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492728
4-Methoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492768

Frequently Asked Questions

What is the IUPAC name of (1S)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol (CID 67812138) is (1S)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol is O[C@H]1CCc2c(OC(F)F)cccc21.
What is the InChIKey of (1S)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is WEEDYGRCSMXCDO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10F2O2/c11-10(12)14-9-3-1-2-6-7(9)4-5-8(6)13/h1-3,8,10,13H,4-5H2/t8-/m0/s1.
What are the key properties of (1S)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol?
(1S)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 200.18 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 67812138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).