(2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate

C14H18FNO3 — CID 175350833

IUPAC(2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(O)C1CCCN1C(=O)Oc1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-14(2,18)12-8-5-9-16(12)13(17)19-11-7-4-3-6-10(11)15/h3-4,6-7,12,18H,5,8-9H2,1-2H3
InChIKeyMCYDIJIWFKLROS-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.56
Rot. Bonds2

About (2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate

(2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate (PubChem CID 175350833) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is (2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
PubChem CID175350833
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name(2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(O)C1CCCN1C(=O)Oc1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-14(2,18)12-8-5-9-16(12)13(17)19-11-7-4-3-6-10(11)15/h3-4,6-7,12,18H,5,8-9H2,1-2H3
InChIKeyMCYDIJIWFKLROS-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
CID 175094409
(2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97306061
phenyl 2-(2-phenylsulfanylpropan-2-yl)pyrrolidine-1-carboxylate
CID 11313852
(2-fluorophenyl) 2-hydroxy-2-methylpropanoate
CID 117051075
(E)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 13430534
(3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 86781661
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 75397395
methyl 1-[2-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylate
CID 43423891
(E)-N-(4-fluorophenyl)-4-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-4-oxobut-2-enamide
CID 110007910
(2-fluorophenyl) 3-aminoazetidine-1-carboxylate
CID 83820757
(2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922238
1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(2-methylphenyl)sulfanylethanone
CID 75431165

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of (2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate (CID 175350833) is (2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for (2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for (2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate is CC(C)(O)C1CCCN1C(=O)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is MCYDIJIWFKLROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-14(2,18)12-8-5-9-16(12)13(17)19-11-7-4-3-6-10(11)15/h3-4,6-7,12,18H,5,8-9H2,1-2H3.
What are the key properties of (2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate?
(2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 267.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 175350833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).