[(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate

C10H18FNO2 — CID 174835809

IUPAC[(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CC[C@@H](CF)C1
InChIInChI=1S/C10H18FNO2/c1-10(2,3)9(13)14-12-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyCMBXVLDYKDLLPN-QMMMGPOBSA-N
MW203.26 g/mol
LogP1.78
Rot. Bonds2

About [(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate

[(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174835809) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is [(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174835809
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name[(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CC[C@@H](CF)C1
InChIInChI=1S/C10H18FNO2/c1-10(2,3)9(13)14-12-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyCMBXVLDYKDLLPN-QMMMGPOBSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174512176
[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174751295
[(3S)-3-sulfanylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174754591
[4-(3-bromopropyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174448950
[(3S)-3-sulfanylpiperidin-1-yl] 2,2-dimethylpropanoate
CID 175267538
[4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174784804
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174785900
[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174732113
(3-bromoazetidin-1-yl) 2,2-dimethylpropanoate
CID 174717988
(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174553162
[(3R)-3-methyl-4-(3,3,3-trifluoropropyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174783365

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate (CID 174835809) is [(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CC[C@@H](CF)C1.
What is the InChIKey of [(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is CMBXVLDYKDLLPN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-10(2,3)9(13)14-12-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of [(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate?
[(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 203.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174835809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).