4-chloro-2-pyridin-4-yl-9-(trifluoromethyl)fluoren-9-ol

C19H11ClF3NO — CID 59492648

IUPAC4-chloro-2-pyridin-4-yl-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2c(Cl)cc(-c3ccncc3)cc21
InChIInChI=1S/C19H11ClF3NO/c20-16-10-12(11-5-7-24-8-6-11)9-15-17(16)13-3-1-2-4-14(13)18(15,25)19(21,22)23/h1-10,25H
InChIKeyDWBVPXYATWUPNB-UHFFFAOYSA-N
MW361.75 g/mol
LogP5.18
Rot. Bonds1

About 4-chloro-2-pyridin-4-yl-9-(trifluoromethyl)fluoren-9-ol

4-chloro-2-pyridin-4-yl-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492648) has the molecular formula C19H11ClF3NO and a molecular weight of 361.75 g/mol. Its IUPAC name is 4-chloro-2-pyridin-4-yl-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-chloro-2-pyridin-4-yl-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492648
Molecular FormulaC19H11ClF3NO
Molecular Weight361.75 g/mol
Exact Mass361.05
IUPAC Name4-chloro-2-pyridin-4-yl-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2c(Cl)cc(-c3ccncc3)cc21
InChIInChI=1S/C19H11ClF3NO/c20-16-10-12(11-5-7-24-8-6-11)9-15-17(16)13-3-1-2-4-14(13)18(15,25)19(21,22)23/h1-10,25H
InChIKeyDWBVPXYATWUPNB-UHFFFAOYSA-N
XLogP5.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.75
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyridin-4-yl-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-chloro-2-pyridin-4-yl-9-(trifluoromethyl)fluoren-9-ol (CID 59492648) is 4-chloro-2-pyridin-4-yl-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-chloro-2-pyridin-4-yl-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-chloro-2-pyridin-4-yl-9-(trifluoromethyl)fluoren-9-ol is OC1(C(F)(F)F)c2ccccc2-c2c(Cl)cc(-c3ccncc3)cc21.
What is the InChIKey of 4-chloro-2-pyridin-4-yl-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is DWBVPXYATWUPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3NO/c20-16-10-12(11-5-7-24-8-6-11)9-15-17(16)13-3-1-2-4-14(13)18(15,25)19(21,22)23/h1-10,25H.
What are the key properties of 4-chloro-2-pyridin-4-yl-9-(trifluoromethyl)fluoren-9-ol?
4-chloro-2-pyridin-4-yl-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 361.75 g/mol, XLogP of 5.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyridin-4-yl-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).