2-Fluorenemethanol, trifluoroacetate ester

C16H11F3O2 — CID 91727200

IUPAC9H-fluoren-2-ylmethyl 2,2,2-trifluoroacetate
SMILESC1C2=CC=CC=C2C3=C1C=C(C=C3)COC(=O)C(F)(F)F
InChIInChI=1S/C16H11F3O2/c17-16(18,19)15(20)21-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14/h1-7H,8-9H2
InChIKeyACYHKFJEIOMKJB-UHFFFAOYSA-N
MW292.25 g/mol
LogP4.40
Rot. Bonds3

About 2-Fluorenemethanol, trifluoroacetate ester

2-Fluorenemethanol, trifluoroacetate ester (PubChem CID 91727200) has the molecular formula C16H11F3O2 and a molecular weight of 292.25 g/mol. Its IUPAC name is 9H-fluoren-2-ylmethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-Fluorenemethanol, trifluoroacetate ester
PubChem CID91727200
Molecular FormulaC16H11F3O2
Molecular Weight292.25 g/mol
Exact Mass292.07
IUPAC Name9H-fluoren-2-ylmethyl 2,2,2-trifluoroacetate
SMILESC1C2=CC=CC=C2C3=C1C=C(C=C3)COC(=O)C(F)(F)F
InChIInChI=1S/C16H11F3O2/c17-16(18,19)15(20)21-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14/h1-7H,8-9H2
InChIKeyACYHKFJEIOMKJB-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity393

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Benzenemethanol, 2,4-dimethyl-, 1-acetate
CID 94602
(2,7-Bis((perfluorohexyl)ethyl)-9H-fluoren-9-yl)methyl carbonochloridate
CID 16218245
Naphthalen-2-ylmethyl acetate
CID 349061
Fluorenylmethyl chloroformate
CID 14261773
(4-Phenylphenyl)methyl 2,2,2-trifluoroacetate
CID 154709903
[(3Z)-3-[(2R,3S)-5-fluoro-3-methoxy-2-methyl-2,3-dihydroinden-1-ylidene]propyl] (E)-4-phenylbut-3-enoate
CID 24867738
3-[(2R,3S)-5-fluoro-3-methoxy-2-methyl-2,3-dihydroinden-1-ylidene]propyl 4-phenylbut-3-enoate
CID 49858967
Pentadecafluorooctanoic acid, naphth-2-ylmethyl ester
CID 91717646
9-Fluorenyl acetate
CID 141166
9H-Fluorene-2-carboxylic acid, ethyl ester
CID 12276115
2-[4-(Acetyloxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethyl acetate
CID 44234438
2-Fluorenemethanol, trifluoroacetate
CID 54397890

Frequently Asked Questions

What is the IUPAC name of 2-Fluorenemethanol, trifluoroacetate ester?
The IUPAC name of 2-Fluorenemethanol, trifluoroacetate ester (CID 91727200) is 9H-fluoren-2-ylmethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-Fluorenemethanol, trifluoroacetate ester?
The canonical SMILES for 2-Fluorenemethanol, trifluoroacetate ester is C1C2=CC=CC=C2C3=C1C=C(C=C3)COC(=O)C(F)(F)F.
What is the InChIKey of 2-Fluorenemethanol, trifluoroacetate ester?
The InChIKey is ACYHKFJEIOMKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O2/c17-16(18,19)15(20)21-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14/h1-7H,8-9H2.
What are the key properties of 2-Fluorenemethanol, trifluoroacetate ester?
2-Fluorenemethanol, trifluoroacetate ester has a molecular weight of 292.25 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Fluorenemethanol, trifluoroacetate ester is sourced from PubChem (CID 91727200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).