4-pyrrolidin-1-ylbutyl 2-fluoroacetate

C10H18FNO2 — CID 150628266

IUPAC4-pyrrolidin-1-ylbutyl 2-fluoroacetate
SMILESO=C(CF)OCCCCN1CCCC1
InChIInChI=1S/C10H18FNO2/c11-9-10(13)14-8-4-3-7-12-5-1-2-6-12/h1-9H2
InChIKeyIXINMLSEGUEJMP-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.38
Rot. Bonds6

About 4-pyrrolidin-1-ylbutyl 2-fluoroacetate

4-pyrrolidin-1-ylbutyl 2-fluoroacetate (PubChem CID 150628266) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylbutyl 2-fluoroacetate.

Molecular Properties

Compound Name4-pyrrolidin-1-ylbutyl 2-fluoroacetate
PubChem CID150628266
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name4-pyrrolidin-1-ylbutyl 2-fluoroacetate
SMILESO=C(CF)OCCCCN1CCCC1
InChIInChI=1S/C10H18FNO2/c11-9-10(13)14-8-4-3-7-12-5-1-2-6-12/h1-9H2
InChIKeyIXINMLSEGUEJMP-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-pyrrolidin-1-ylbutyl 2-fluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465
12-pyrrolidin-1-yldodecyl 2,2-difluoropropanoate
CID 58341569
dodecyl 3-piperidin-1-ylpropanoate
CID 91554899
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
2-piperidin-1-ylethyl 2-chloroacetate
CID 12849131
2-piperidin-1-ylethyl 2-bromoacetate
CID 162508900
3-pyrrolidin-1-ylpropyl N-[6-(3-pyrrolidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847303
3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847315
4-(3-pyrrolidin-1-ylpropoxy)butanamide
CID 166535880
pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate
CID 170534095
2-piperidin-1-ylethyl hexanoate
CID 59204070
2-[5-(2-piperidin-1-ylethoxy)pentoxy]acetamide
CID 142368425

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylbutyl 2-fluoroacetate?
The IUPAC name of 4-pyrrolidin-1-ylbutyl 2-fluoroacetate (CID 150628266) is 4-pyrrolidin-1-ylbutyl 2-fluoroacetate.
What is the SMILES notation for 4-pyrrolidin-1-ylbutyl 2-fluoroacetate?
The canonical SMILES for 4-pyrrolidin-1-ylbutyl 2-fluoroacetate is O=C(CF)OCCCCN1CCCC1.
What is the InChIKey of 4-pyrrolidin-1-ylbutyl 2-fluoroacetate?
The InChIKey is IXINMLSEGUEJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c11-9-10(13)14-8-4-3-7-12-5-1-2-6-12/h1-9H2.
What are the key properties of 4-pyrrolidin-1-ylbutyl 2-fluoroacetate?
4-pyrrolidin-1-ylbutyl 2-fluoroacetate has a molecular weight of 203.26 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylbutyl 2-fluoroacetate is sourced from PubChem (CID 150628266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).