9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate

C20H18F3NO3 — CID 178195231

IUPAC9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1C[C@H](O)[C@@H](C(F)(F)F)C1
InChIInChI=1S/C20H18F3NO3/c21-20(22,23)17-9-24(10-18(17)25)19(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-18,25H,9-11H2/t17-,18-/m0/s1
InChIKeyBQOZGCDZDYWKBT-ROUUACIJSA-N
MW377.36 g/mol
LogP3.79
Rot. Bonds2

About 9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate

9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate (PubChem CID 178195231) has the molecular formula C20H18F3NO3 and a molecular weight of 377.36 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate
PubChem CID178195231
Molecular FormulaC20H18F3NO3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC Name9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1C[C@H](O)[C@@H](C(F)(F)F)C1
InChIInChI=1S/C20H18F3NO3/c21-20(22,23)17-9-24(10-18(17)25)19(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-18,25H,9-11H2/t17-,18-/m0/s1
InChIKeyBQOZGCDZDYWKBT-ROUUACIJSA-N
XLogP3.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 75525905
9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 76652146
9H-fluoren-9-ylmethyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate
CID 91266462
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
4-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]benzoic acid
CID 154856826
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-3,3-difluoropropanoic acid
CID 167724441
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
(3S,4R)-4-azaniumyl-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylate
CID 26596954

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate (CID 178195231) is 9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@H](O)[C@@H](C(F)(F)F)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate?
The InChIKey is BQOZGCDZDYWKBT-ROUUACIJSA-N. The full InChI is InChI=1S/C20H18F3NO3/c21-20(22,23)17-9-24(10-18(17)25)19(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-18,25H,9-11H2/t17-,18-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate?
9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate has a molecular weight of 377.36 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 178195231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).