tert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate

C11H21FN2O2 — CID 139781998

IUPACtert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CF)N1CCCC1
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)13-9(8-12)14-6-4-5-7-14/h9H,4-8H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyBHDOWGZWZDAILS-SECBINFHSA-N
MW232.30 g/mol
LogP1.90
Rot. Bonds3

About tert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate

tert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate (PubChem CID 139781998) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate
PubChem CID139781998
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Nametert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CF)N1CCCC1
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)13-9(8-12)14-6-4-5-7-14/h9H,4-8H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyBHDOWGZWZDAILS-SECBINFHSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
CID 24689322
tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate
CID 101375813
tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate
CID 102729511
tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate
CID 102729464
tert-butyl N-(3-cyano-3-pyrrolidin-1-ylpropyl)carbamate
CID 102730817
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid
CID 139534274
tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate
CID 11832975
tert-butyl N-[1-(azocan-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 142133698
tert-butyl N-[4-(tert-butylamino)-4-oxo-3-pyrrolidin-1-ylbutan-2-yl]carbamate;formic acid
CID 145308799
tert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate
CID 69432150
ethyl 4-[(2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate
CID 68600107

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate (CID 139781998) is tert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](CF)N1CCCC1.
What is the InChIKey of tert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate?
The InChIKey is BHDOWGZWZDAILS-SECBINFHSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)13-9(8-12)14-6-4-5-7-14/h9H,4-8H2,1-3H3,(H,13,15)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate?
tert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate has a molecular weight of 232.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate is sourced from PubChem (CID 139781998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).