tert-butyl N-[(4,4-difluoropyrrolidin-2-yl)methyl]carbamate

C10H18F2N2O2 — CID 122411575

IUPACtert-butyl N-[(4,4-difluoropyrrolidin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC(F)(F)CN1
InChIInChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)13-5-7-4-10(11,12)6-14-7/h7,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyKEWAAHJOSNDLHV-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.51
Rot. Bonds2

About tert-butyl N-[(4,4-difluoropyrrolidin-2-yl)methyl]carbamate

tert-butyl N-[(4,4-difluoropyrrolidin-2-yl)methyl]carbamate (PubChem CID 122411575) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is tert-butyl N-[(4,4-difluoropyrrolidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4,4-difluoropyrrolidin-2-yl)methyl]carbamate
PubChem CID122411575
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Nametert-butyl N-[(4,4-difluoropyrrolidin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC(F)(F)CN1
InChIInChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)13-5-7-4-10(11,12)6-14-7/h7,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyKEWAAHJOSNDLHV-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-(-)-3-(tert-Butoxycarbonylamino)pyrrolidine
CID 1514396
(+-)-2-(Aminomethyl)-1-N-Boc-pyrrolidine
CID 2756484
(3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine
CID 1514397
tert-butyl N-(pyrrolidin-3-yl)carbamate
CID 2757234
tert-Butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 1512533
tert-butyl (2R)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 1512534
1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate
CID 45489886
1-Piperidinecarboxylic acid, 5-amino-3,3-difluoro-, 1,1-dimethylethyl ester
CID 72207300
tert-Butyl (((2S)-pyrrolidin-2-yl)methyl)carbamate
CID 22869529
Tert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate
CID 19354295
tert-butyl N-(5-methylpyrrolidin-3-yl)carbamate
CID 19691256
tert-Butyl (3-(trifluoromethyl)pyrrolidin-3-yl)carbamate
CID 19691491

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4,4-difluoropyrrolidin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4,4-difluoropyrrolidin-2-yl)methyl]carbamate (CID 122411575) is tert-butyl N-[(4,4-difluoropyrrolidin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4,4-difluoropyrrolidin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4,4-difluoropyrrolidin-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CC(F)(F)CN1.
What is the InChIKey of tert-butyl N-[(4,4-difluoropyrrolidin-2-yl)methyl]carbamate?
The InChIKey is KEWAAHJOSNDLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)13-5-7-4-10(11,12)6-14-7/h7,14H,4-6H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[(4,4-difluoropyrrolidin-2-yl)methyl]carbamate?
tert-butyl N-[(4,4-difluoropyrrolidin-2-yl)methyl]carbamate has a molecular weight of 236.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4,4-difluoropyrrolidin-2-yl)methyl]carbamate is sourced from PubChem (CID 122411575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).