propyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate

C14H19FN2O2 — CID 66715102

IUPACpropyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate
SMILESCCCOC(=O)NC1CNCC1c1cccc(F)c1
InChIInChI=1S/C14H19FN2O2/c1-2-6-19-14(18)17-13-9-16-8-12(13)10-4-3-5-11(15)7-10/h3-5,7,12-13,16H,2,6,8-9H2,1H3,(H,17,18)
InChIKeyYBENPCAOVMQCOG-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.02
Rot. Bonds4

About propyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate

propyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate (PubChem CID 66715102) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is propyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namepropyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate
PubChem CID66715102
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Namepropyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate
SMILESCCCOC(=O)NC1CNCC1c1cccc(F)c1
InChIInChI=1S/C14H19FN2O2/c1-2-6-19-14(18)17-13-9-16-8-12(13)10-4-3-5-11(15)7-10/h3-5,7,12-13,16H,2,6,8-9H2,1H3,(H,17,18)
InChIKeyYBENPCAOVMQCOG-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of propyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate (CID 66715102) is propyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for propyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for propyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate is CCCOC(=O)NC1CNCC1c1cccc(F)c1.
What is the InChIKey of propyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate?
The InChIKey is YBENPCAOVMQCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-6-19-14(18)17-13-9-16-8-12(13)10-4-3-5-11(15)7-10/h3-5,7,12-13,16H,2,6,8-9H2,1H3,(H,17,18).
What are the key properties of propyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate?
propyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate has a molecular weight of 266.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 66715102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).