(1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol

C13H16F2O2 — CID 164827498

IUPAC(1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol
SMILESCC(C)C[C@]1(O)c2ccccc2[C@H](O)C1(F)F
InChIInChI=1S/C13H16F2O2/c1-8(2)7-12(17)10-6-4-3-5-9(10)11(16)13(12,14)15/h3-6,8,11,16-17H,7H2,1-2H3/t11-,12-/m0/s1
InChIKeyJUQDXPSPHVLLQR-RYUDHWBXSA-N
MW242.27 g/mol
LogP2.60
Rot. Bonds2

About (1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol

(1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol (PubChem CID 164827498) has the molecular formula C13H16F2O2 and a molecular weight of 242.27 g/mol. Its IUPAC name is (1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol.

Molecular Properties

Compound Name(1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol
PubChem CID164827498
Molecular FormulaC13H16F2O2
Molecular Weight242.27 g/mol
Exact Mass242.11
IUPAC Name(1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol
SMILESCC(C)C[C@]1(O)c2ccccc2[C@H](O)C1(F)F
InChIInChI=1S/C13H16F2O2/c1-8(2)7-12(17)10-6-4-3-5-9(10)11(16)13(12,14)15/h3-6,8,11,16-17H,7H2,1-2H3/t11-,12-/m0/s1
InChIKeyJUQDXPSPHVLLQR-RYUDHWBXSA-N
XLogP2.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol
CID 140915621
5,7,9-trimethyl-5-(2-methylpropyl)-6-propan-2-ylidene-8,9-dihydro-7H-benzo[7]annulene
CID 91249379
2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine
CID 84675560
(1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol
CID 138978133
(4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 104980282
1-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 43809321
3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
CID 79454418
4-butan-2-yl-1-hydroxy-1-methyl-3,4-dihydronaphthalen-2-one
CID 10728296
3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
CID 107089566
3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol
CID 130128997
carbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol
CID 10959383
2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one
CID 164827511

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol?
The IUPAC name of (1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol (CID 164827498) is (1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol.
What is the SMILES notation for (1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol?
The canonical SMILES for (1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol is CC(C)C[C@]1(O)c2ccccc2[C@H](O)C1(F)F.
What is the InChIKey of (1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol?
The InChIKey is JUQDXPSPHVLLQR-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H16F2O2/c1-8(2)7-12(17)10-6-4-3-5-9(10)11(16)13(12,14)15/h3-6,8,11,16-17H,7H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol?
(1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol has a molecular weight of 242.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol is sourced from PubChem (CID 164827498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).