(2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine

C11H22FNO — CID 176632082

IUPAC(2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine
SMILESCOC[C@@]1(F)C[C@@H](C)N(C(C)(C)C)C1
InChIInChI=1S/C11H22FNO/c1-9-6-11(12,8-14-5)7-13(9)10(2,3)4/h9H,6-8H2,1-5H3/t9-,11-/m1/s1
InChIKeyGFCGODHRLMRRSZ-MWLCHTKSSA-N
MW203.30 g/mol
LogP2.23
Rot. Bonds2

About (2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine

(2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine (PubChem CID 176632082) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is (2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine
PubChem CID176632082
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name(2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine
SMILESCOC[C@@]1(F)C[C@@H](C)N(C(C)(C)C)C1
InChIInChI=1S/C11H22FNO/c1-9-6-11(12,8-14-5)7-13(9)10(2,3)4/h9H,6-8H2,1-5H3/t9-,11-/m1/s1
InChIKeyGFCGODHRLMRRSZ-MWLCHTKSSA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 59611153
(2R)-4-(difluoromethoxymethyl)-1,2-dimethylpyrrolidine
CID 67681789
4-(Difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 72338230
4-(Difluoromethoxymethyl)-1,2-dimethylpyrrolidine
CID 77335280
(2R)-4-(1-fluoroethoxymethyl)-1,2-dimethylpyrrolidine
CID 129108293
(2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine
CID 129163956
(2R)-4-(1-fluoroethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine
CID 139476962
(2S,4S)-1-tert-butyl-4-(difluoromethoxymethyl)-2-methylpyrrolidine
CID 141387602
(2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine
CID 146518414
(2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine
CID 146933740
3-Fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 147525501
(2R)-4-(difluoromethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine
CID 147978896

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine?
The IUPAC name of (2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine (CID 176632082) is (2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine.
What is the SMILES notation for (2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine?
The canonical SMILES for (2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine is COC[C@@]1(F)C[C@@H](C)N(C(C)(C)C)C1.
What is the InChIKey of (2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine?
The InChIKey is GFCGODHRLMRRSZ-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H22FNO/c1-9-6-11(12,8-14-5)7-13(9)10(2,3)4/h9H,6-8H2,1-5H3/t9-,11-/m1/s1.
What are the key properties of (2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine?
(2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine has a molecular weight of 203.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine is sourced from PubChem (CID 176632082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).