2-(N-methylanilino)-9-(trifluoromethyl)fluoren-9-ol

C21H16F3NO — CID 59492834

IUPAC2-(N-methylanilino)-9-(trifluoromethyl)fluoren-9-ol
SMILESCN(c1ccccc1)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H16F3NO/c1-25(14-7-3-2-4-8-14)15-11-12-17-16-9-5-6-10-18(16)20(26,19(17)13-15)21(22,23)24/h2-13,26H,1H3
InChIKeyKZQIULSJWDDSCT-UHFFFAOYSA-N
MW355.36 g/mol
LogP5.23
Rot. Bonds2

About 2-(N-methylanilino)-9-(trifluoromethyl)fluoren-9-ol

2-(N-methylanilino)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492834) has the molecular formula C21H16F3NO and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-(N-methylanilino)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-(N-methylanilino)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492834
Molecular FormulaC21H16F3NO
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC Name2-(N-methylanilino)-9-(trifluoromethyl)fluoren-9-ol
SMILESCN(c1ccccc1)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H16F3NO/c1-25(14-7-3-2-4-8-14)15-11-12-17-16-9-5-6-10-18(16)20(26,19(17)13-15)21(22,23)24/h2-13,26H,1H3
InChIKeyKZQIULSJWDDSCT-UHFFFAOYSA-N
XLogP5.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.36
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Diethylamino-9-fluorenol
CID 224125
2-(4-(Dibenzylamino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 1734080
1-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one
CID 59492795
Tert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
CID 59492520
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 59492640
N-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]acetamide
CID 59492683
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone
CID 59492766
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]propan-1-one
CID 59493091
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 59493106
Propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
CID 59493107
5,8-Difluoro-2,2,4,10-tetramethyl-2,10-dihydro-1H-indeno[1,2-g]quinolin-10-ol
CID 44325294
2-(dimethylamino)-9H-fluoren-9-ol
CID 224123

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-(N-methylanilino)-9-(trifluoromethyl)fluoren-9-ol (CID 59492834) is 2-(N-methylanilino)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-(N-methylanilino)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-(N-methylanilino)-9-(trifluoromethyl)fluoren-9-ol is CN(c1ccccc1)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-(N-methylanilino)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is KZQIULSJWDDSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO/c1-25(14-7-3-2-4-8-14)15-11-12-17-16-9-5-6-10-18(16)20(26,19(17)13-15)21(22,23)24/h2-13,26H,1H3.
What are the key properties of 2-(N-methylanilino)-9-(trifluoromethyl)fluoren-9-ol?
2-(N-methylanilino)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 355.36 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).