3-[4-(trifluoromethyl)phenyl]fluoren-1-one

C20H11F3O — CID 140563996

IUPAC3-[4-(trifluoromethyl)phenyl]fluoren-1-one
SMILESO=C1C=C(c2ccc(C(F)(F)F)cc2)C=C2C1=Cc1ccccc12
InChIInChI=1S/C20H11F3O/c21-20(22,23)15-7-5-12(6-8-15)14-10-17-16-4-2-1-3-13(16)9-18(17)19(24)11-14/h1-11H
InChIKeyVDRIORFPSWEXMF-UHFFFAOYSA-N
MW324.30 g/mol
LogP5.15
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]fluoren-1-one

3-[4-(trifluoromethyl)phenyl]fluoren-1-one (PubChem CID 140563996) has the molecular formula C20H11F3O and a molecular weight of 324.30 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]fluoren-1-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]fluoren-1-one
PubChem CID140563996
Molecular FormulaC20H11F3O
Molecular Weight324.30 g/mol
Exact Mass324.08
IUPAC Name3-[4-(trifluoromethyl)phenyl]fluoren-1-one
SMILESO=C1C=C(c2ccc(C(F)(F)F)cc2)C=C2C1=Cc1ccccc12
InChIInChI=1S/C20H11F3O/c21-20(22,23)15-7-5-12(6-8-15)14-10-17-16-4-2-1-3-13(16)9-18(17)19(24)11-14/h1-11H
InChIKeyVDRIORFPSWEXMF-UHFFFAOYSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.30
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[3-[4-(trifluoromethyl)phenyl]inden-1-ylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 51033295
3-[4-(trifluoromethyl)phenyl]isoindol-1-one
CID 155385074
[2-[4-(trifluoromethyl)phenyl]phenyl]phosphane
CID 138671682
phosphane;trifluoromethylbenzene
CID 175486194
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132
3-[4-(trifluoromethyl)phenyl]-1H-indene
CID 90234386
1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
CID 22625277
2,3-dimethylbutane-2,3-diol;fluoren-1-one
CID 174955276
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CID 139943484
benzo[a]anthracene-6,12-dione
CID 171714643

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]fluoren-1-one?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]fluoren-1-one (CID 140563996) is 3-[4-(trifluoromethyl)phenyl]fluoren-1-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]fluoren-1-one?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]fluoren-1-one is O=C1C=C(c2ccc(C(F)(F)F)cc2)C=C2C1=Cc1ccccc12.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]fluoren-1-one?
The InChIKey is VDRIORFPSWEXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3O/c21-20(22,23)15-7-5-12(6-8-15)14-10-17-16-4-2-1-3-13(16)9-18(17)19(24)11-14/h1-11H.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]fluoren-1-one?
3-[4-(trifluoromethyl)phenyl]fluoren-1-one has a molecular weight of 324.30 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]fluoren-1-one is sourced from PubChem (CID 140563996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).