7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol

C21H14F6O — CID 88593438

IUPAC7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol
SMILESCC1(C)c2ccc(C(F)(F)F)cc2-c2c1cc(O)c1ccc(C(F)(F)F)cc21
InChIInChI=1S/C21H14F6O/c1-19(2)15-6-4-11(21(25,26)27)8-14(15)18-13-7-10(20(22,23)24)3-5-12(13)17(28)9-16(18)19/h3-9,28H,1-2H3
InChIKeyICMFKKJXPSZHGN-UHFFFAOYSA-N
MW396.33 g/mol
LogP6.89
Rot. Bonds

About 7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol

7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol (PubChem CID 88593438) has the molecular formula C21H14F6O and a molecular weight of 396.33 g/mol. Its IUPAC name is 7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol.

Molecular Properties

Compound Name7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol
PubChem CID88593438
Molecular FormulaC21H14F6O
Molecular Weight396.33 g/mol
Exact Mass396.09
IUPAC Name7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol
SMILESCC1(C)c2ccc(C(F)(F)F)cc2-c2c1cc(O)c1ccc(C(F)(F)F)cc21
InChIInChI=1S/C21H14F6O/c1-19(2)15-6-4-11(21(25,26)27)8-14(15)18-13-7-10(20(22,23)24)3-5-12(13)17(28)9-16(18)19/h3-9,28H,1-2H3
InChIKeyICMFKKJXPSZHGN-UHFFFAOYSA-N
XLogP6.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.33
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol?
The IUPAC name of 7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol (CID 88593438) is 7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol.
What is the SMILES notation for 7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol?
The canonical SMILES for 7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol is CC1(C)c2ccc(C(F)(F)F)cc2-c2c1cc(O)c1ccc(C(F)(F)F)cc21.
What is the InChIKey of 7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol?
The InChIKey is ICMFKKJXPSZHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6O/c1-19(2)15-6-4-11(21(25,26)27)8-14(15)18-13-7-10(20(22,23)24)3-5-12(13)17(28)9-16(18)19/h3-9,28H,1-2H3.
What are the key properties of 7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol?
7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol has a molecular weight of 396.33 g/mol, XLogP of 6.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol is sourced from PubChem (CID 88593438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).