2-[4-[(9S)-2-fluoro-9-(trifluoromethyl)-9H-fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol

C20H16F4N2O2 — CID 143972386

IUPAC2-[4-[(9S)-2-fluoro-9-(trifluoromethyl)-9H-fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol
SMILESOCC(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@@H]3C(F)(F)F)cn1
InChIInChI=1S/C20H16F4N2O2/c21-12-5-16(11-7-25-26(8-11)13(9-27)10-28)18-14-3-1-2-4-15(14)19(17(18)6-12)20(22,23)24/h1-8,13,19,27-28H,9-10H2/t19-/m0/s1
InChIKeyWTICYQWUTPYTAL-IBGZPJMESA-N
MW392.35 g/mol
LogP3.89
Rot. Bonds4

About 2-[4-[(9S)-2-fluoro-9-(trifluoromethyl)-9H-fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol

2-[4-[(9S)-2-fluoro-9-(trifluoromethyl)-9H-fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol (PubChem CID 143972386) has the molecular formula C20H16F4N2O2 and a molecular weight of 392.35 g/mol. Its IUPAC name is 2-[4-[(9S)-2-fluoro-9-(trifluoromethyl)-9H-fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[4-[(9S)-2-fluoro-9-(trifluoromethyl)-9H-fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol
PubChem CID143972386
Molecular FormulaC20H16F4N2O2
Molecular Weight392.35 g/mol
Exact Mass392.11
IUPAC Name2-[4-[(9S)-2-fluoro-9-(trifluoromethyl)-9H-fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol
SMILESOCC(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@@H]3C(F)(F)F)cn1
InChIInChI=1S/C20H16F4N2O2/c21-12-5-16(11-7-25-26(8-11)13(9-27)10-28)18-14-3-1-2-4-15(14)19(17(18)6-12)20(22,23)24/h1-8,13,19,27-28H,9-10H2/t19-/m0/s1
InChIKeyWTICYQWUTPYTAL-IBGZPJMESA-N
XLogP3.89
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(9S)-2-fluoro-9-(trifluoromethyl)-9H-fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol?
The IUPAC name of 2-[4-[(9S)-2-fluoro-9-(trifluoromethyl)-9H-fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol (CID 143972386) is 2-[4-[(9S)-2-fluoro-9-(trifluoromethyl)-9H-fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol.
What is the SMILES notation for 2-[4-[(9S)-2-fluoro-9-(trifluoromethyl)-9H-fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol?
The canonical SMILES for 2-[4-[(9S)-2-fluoro-9-(trifluoromethyl)-9H-fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol is OCC(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@@H]3C(F)(F)F)cn1.
What is the InChIKey of 2-[4-[(9S)-2-fluoro-9-(trifluoromethyl)-9H-fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol?
The InChIKey is WTICYQWUTPYTAL-IBGZPJMESA-N. The full InChI is InChI=1S/C20H16F4N2O2/c21-12-5-16(11-7-25-26(8-11)13(9-27)10-28)18-14-3-1-2-4-15(14)19(17(18)6-12)20(22,23)24/h1-8,13,19,27-28H,9-10H2/t19-/m0/s1.
What are the key properties of 2-[4-[(9S)-2-fluoro-9-(trifluoromethyl)-9H-fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol?
2-[4-[(9S)-2-fluoro-9-(trifluoromethyl)-9H-fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol has a molecular weight of 392.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(9S)-2-fluoro-9-(trifluoromethyl)-9H-fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol is sourced from PubChem (CID 143972386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).