(1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol

C16H12F4O — CID 131848103

IUPAC(1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1C[C@@H](c2ccc(F)cc2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H12F4O/c17-11-4-1-9(2-5-11)13-8-15(21)12-6-3-10(7-14(12)13)16(18,19)20/h1-7,13,15,21H,8H2/t13-,15-/m0/s1
InChIKeyDKUQYUUVDRILGP-ZFWWWQNUSA-N
MW296.26 g/mol
LogP4.41
Rot. Bonds1

About (1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol

(1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 131848103) has the molecular formula C16H12F4O and a molecular weight of 296.26 g/mol. Its IUPAC name is (1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID131848103
Molecular FormulaC16H12F4O
Molecular Weight296.26 g/mol
Exact Mass296.08
IUPAC Name(1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1C[C@@H](c2ccc(F)cc2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H12F4O/c17-11-4-1-9(2-5-11)13-8-15(21)12-6-3-10(7-14(12)13)16(18,19)20/h1-7,13,15,21H,8H2/t13-,15-/m0/s1
InChIKeyDKUQYUUVDRILGP-ZFWWWQNUSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol (CID 131848103) is (1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol is O[C@H]1C[C@@H](c2ccc(F)cc2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of (1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is DKUQYUUVDRILGP-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H12F4O/c17-11-4-1-9(2-5-11)13-8-15(21)12-6-3-10(7-14(12)13)16(18,19)20/h1-7,13,15,21H,8H2/t13-,15-/m0/s1.
What are the key properties of (1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
(1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 296.26 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 131848103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).