(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol

C10H10F2O2 — CID 131030238

IUPAC(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2ccc(OC(F)F)cc21
InChIInChI=1S/C10H10F2O2/c11-10(12)14-7-3-1-6-2-4-9(13)8(6)5-7/h1,3,5,9-10,13H,2,4H2/t9-/m0/s1
InChIKeyIQMUSXBHYFARHR-VIFPVBQESA-N
MW200.18 g/mol
LogP2.27
Rot. Bonds2

About (1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol

(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol (PubChem CID 131030238) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is (1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol
PubChem CID131030238
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2ccc(OC(F)F)cc21
InChIInChI=1S/C10H10F2O2/c11-10(12)14-7-3-1-6-2-4-9(13)8(6)5-7/h1,3,5,9-10,13H,2,4H2/t9-/m0/s1
InChIKeyIQMUSXBHYFARHR-VIFPVBQESA-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
(1R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 11564555
3-(Trifluoromethoxy)benzyl alcohol
CID 142783
(1E)-1-heptylidene-5-methoxy-3-(trifluoromethyl)indene
CID 138722658
2-Hexoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492533
2-Butoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492669
2-(5-Hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492843
2-(6-Hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492866
2-(4-Hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59493174
2-Pentoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59493222

Frequently Asked Questions

What is the IUPAC name of (1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol (CID 131030238) is (1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol is O[C@H]1CCc2ccc(OC(F)F)cc21.
What is the InChIKey of (1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is IQMUSXBHYFARHR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10F2O2/c11-10(12)14-7-3-1-6-2-4-9(13)8(6)5-7/h1,3,5,9-10,13H,2,4H2/t9-/m0/s1.
What are the key properties of (1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol?
(1S)-6-(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)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 131030238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).