2-[2-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]acetonitrile

C16H9ClF3NO — CID 59493071

IUPAC2-[2-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]acetonitrile
SMILESN#CCc1cc(Cl)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H9ClF3NO/c17-10-7-9(5-6-21)14-11-3-1-2-4-12(11)15(22,13(14)8-10)16(18,19)20/h1-4,7-8,22H,5H2
InChIKeyZOTUYFQJTPOCHQ-UHFFFAOYSA-N
MW323.70 g/mol
LogP4.18
Rot. Bonds1

About 2-[2-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]acetonitrile

2-[2-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]acetonitrile (PubChem CID 59493071) has the molecular formula C16H9ClF3NO and a molecular weight of 323.70 g/mol. Its IUPAC name is 2-[2-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]acetonitrile
PubChem CID59493071
Molecular FormulaC16H9ClF3NO
Molecular Weight323.70 g/mol
Exact Mass323.03
IUPAC Name2-[2-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]acetonitrile
SMILESN#CCc1cc(Cl)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H9ClF3NO/c17-10-7-9(5-6-21)14-11-3-1-2-4-12(11)15(22,13(14)8-10)16(18,19)20/h1-4,7-8,22H,5H2
InChIKeyZOTUYFQJTPOCHQ-UHFFFAOYSA-N
XLogP4.18
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.70
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-phenyl-9-(trifluoromethyl)fluoren-9-ol
CID 70902688
9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonitrile
CID 59493029
4,9-bis(trifluoromethyl)fluoren-9-ol
CID 59492966
4-bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59493116
2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492745
4-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492630
bis(4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxylic acid);(1S)-1-phenylethanamine
CID 158464520
2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol
CID 67228250
2-(4-fluorophenyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492604
2-[2-chloro-3-(cyanomethyl)phenyl]acetonitrile
CID 56997307
1-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutan-2-one
CID 159298887
2-[2-[1-(hydroxymethyl)cyclopropyl]phenyl]acetonitrile
CID 115110953

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]acetonitrile?
The IUPAC name of 2-[2-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]acetonitrile (CID 59493071) is 2-[2-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]acetonitrile.
What is the SMILES notation for 2-[2-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]acetonitrile?
The canonical SMILES for 2-[2-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]acetonitrile is N#CCc1cc(Cl)cc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 2-[2-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]acetonitrile?
The InChIKey is ZOTUYFQJTPOCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3NO/c17-10-7-9(5-6-21)14-11-3-1-2-4-12(11)15(22,13(14)8-10)16(18,19)20/h1-4,7-8,22H,5H2.
What are the key properties of 2-[2-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]acetonitrile?
2-[2-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]acetonitrile has a molecular weight of 323.70 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]acetonitrile is sourced from PubChem (CID 59493071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).