tert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate

C14H23FO3 — CID 121475931

IUPACtert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate
SMILESCC(C)C(=O)C1C[C@@H](F)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23FO3/c1-8(2)12(16)10-6-9(15)7-11(10)13(17)18-14(3,4)5/h8-11H,6-7H2,1-5H3/t9-,10?,11?/m1/s1
InChIKeyKQZVMOPFCCHHJR-KPPDAEKUSA-N
MW258.33 g/mol
LogP2.92
Rot. Bonds3

About tert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate

tert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate (PubChem CID 121475931) has the molecular formula C14H23FO3 and a molecular weight of 258.33 g/mol. Its IUPAC name is tert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate
PubChem CID121475931
Molecular FormulaC14H23FO3
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Nametert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate
SMILESCC(C)C(=O)C1C[C@@H](F)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23FO3/c1-8(2)12(16)10-6-9(15)7-11(10)13(17)18-14(3,4)5/h8-11H,6-7H2,1-5H3/t9-,10?,11?/m1/s1
InChIKeyKQZVMOPFCCHHJR-KPPDAEKUSA-N
XLogP2.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ditert-butyl (1R,3S,4S,6R)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 10924504
2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one
CID 166581252
2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
CID 176639154
cis-(1R,4S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 118566012
tritert-butyl cyclohexane-1,2,4-tricarboxylate
CID 23444068
tert-butyl 5-tert-butylbicyclo[2.2.1]heptane-2-carboxylate
CID 129175526
tert-butyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 91144013
tert-butyl 5-acetylsulfanylbicyclo[2.2.1]heptane-2-carboxylate
CID 138557166
tert-butyl 2-oxabicyclo[3.2.1]octane-6-carboxylate
CID 70333354
tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;ethane
CID 91480700
tert-butyl (1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylate
CID 58855747
tert-butyl 2-formylcyclobutane-1-carboxylate
CID 165438429

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate (CID 121475931) is tert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate is CC(C)C(=O)C1C[C@@H](F)CC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate?
The InChIKey is KQZVMOPFCCHHJR-KPPDAEKUSA-N. The full InChI is InChI=1S/C14H23FO3/c1-8(2)12(16)10-6-9(15)7-11(10)13(17)18-14(3,4)5/h8-11H,6-7H2,1-5H3/t9-,10?,11?/m1/s1.
What are the key properties of tert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate?
tert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate has a molecular weight of 258.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-fluoro-2-(2-methylpropanoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 121475931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).