7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol

C23H21F3O — CID 159410395

IUPAC7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol
SMILESCCCCC1(C)c2ccccc2-c2c1cc(O)c1cc(C(F)(F)F)ccc21
InChIInChI=1S/C23H21F3O/c1-3-4-11-22(2)18-8-6-5-7-16(18)21-15-10-9-14(23(24,25)26)12-17(15)20(27)13-19(21)22/h5-10,12-13,27H,3-4,11H2,1-2H3
InChIKeyLOMRHHNGJHCMMZ-UHFFFAOYSA-N
MW370.41 g/mol
LogP7.04
Rot. Bonds3

About 7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol

7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol (PubChem CID 159410395) has the molecular formula C23H21F3O and a molecular weight of 370.41 g/mol. Its IUPAC name is 7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol.

Molecular Properties

Compound Name7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol
PubChem CID159410395
Molecular FormulaC23H21F3O
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol
SMILESCCCCC1(C)c2ccccc2-c2c1cc(O)c1cc(C(F)(F)F)ccc21
InChIInChI=1S/C23H21F3O/c1-3-4-11-22(2)18-8-6-5-7-16(18)21-15-10-9-14(23(24,25)26)12-17(15)20(27)13-19(21)22/h5-10,12-13,27H,3-4,11H2,1-2H3
InChIKeyLOMRHHNGJHCMMZ-UHFFFAOYSA-N
XLogP7.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol?
The IUPAC name of 7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol (CID 159410395) is 7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol.
What is the SMILES notation for 7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol?
The canonical SMILES for 7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol is CCCCC1(C)c2ccccc2-c2c1cc(O)c1cc(C(F)(F)F)ccc21.
What is the InChIKey of 7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol?
The InChIKey is LOMRHHNGJHCMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3O/c1-3-4-11-22(2)18-8-6-5-7-16(18)21-15-10-9-14(23(24,25)26)12-17(15)20(27)13-19(21)22/h5-10,12-13,27H,3-4,11H2,1-2H3.
What are the key properties of 7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol?
7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol has a molecular weight of 370.41 g/mol, XLogP of 7.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol is sourced from PubChem (CID 159410395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).