(1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol

C19H19FO2 — CID 138979310

IUPAC(1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol
SMILESCC1=C(c2ccccc2)[C@H](c2ccccc2)[C@](F)(CO)[C@@H]1O
InChIInChI=1S/C19H19FO2/c1-13-16(14-8-4-2-5-9-14)17(15-10-6-3-7-11-15)19(20,12-21)18(13)22/h2-11,17-18,21-22H,12H2,1H3/t17-,18+,19+/m0/s1
InChIKeyZBQDTFUUTHIEEQ-IPMKNSEASA-N
MW298.36 g/mol
LogP3.32
Rot. Bonds3

About (1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol

(1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol (PubChem CID 138979310) has the molecular formula C19H19FO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is (1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol
PubChem CID138979310
Molecular FormulaC19H19FO2
Molecular Weight298.36 g/mol
Exact Mass298.14
IUPAC Name(1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol
SMILESCC1=C(c2ccccc2)[C@H](c2ccccc2)[C@](F)(CO)[C@@H]1O
InChIInChI=1S/C19H19FO2/c1-13-16(14-8-4-2-5-9-14)17(15-10-6-3-7-11-15)19(20,12-21)18(13)22/h2-11,17-18,21-22H,12H2,1H3/t17-,18+,19+/m0/s1
InChIKeyZBQDTFUUTHIEEQ-IPMKNSEASA-N
XLogP3.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol?
The IUPAC name of (1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol (CID 138979310) is (1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol?
The canonical SMILES for (1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol is CC1=C(c2ccccc2)[C@H](c2ccccc2)[C@](F)(CO)[C@@H]1O.
What is the InChIKey of (1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol?
The InChIKey is ZBQDTFUUTHIEEQ-IPMKNSEASA-N. The full InChI is InChI=1S/C19H19FO2/c1-13-16(14-8-4-2-5-9-14)17(15-10-6-3-7-11-15)19(20,12-21)18(13)22/h2-11,17-18,21-22H,12H2,1H3/t17-,18+,19+/m0/s1.
What are the key properties of (1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol?
(1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol has a molecular weight of 298.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol is sourced from PubChem (CID 138979310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).