(2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine

C10H20FNO — CID 99995044

IUPAC(2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)C[C@H]1C[C@@H](OCCF)CN1
InChIInChI=1S/C10H20FNO/c1-8(2)5-9-6-10(7-12-9)13-4-3-11/h8-10,12H,3-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyZKFCTYSSELMLLS-VHSXEESVSA-N
MW189.27 g/mol
LogP1.75
Rot. Bonds5

About (2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine

(2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine (PubChem CID 99995044) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name(2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
PubChem CID99995044
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)C[C@H]1C[C@@H](OCCF)CN1
InChIInChI=1S/C10H20FNO/c1-8(2)5-9-6-10(7-12-9)13-4-3-11/h8-10,12H,3-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyZKFCTYSSELMLLS-VHSXEESVSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-5-methyl-2-propan-2-yloxolan-3-amine
CID 123551885
(2S)-4-(1-fluoroethoxymethyl)-2-propan-2-ylpyrrolidine
CID 132093745
1-Methyl-2-(2-methylpropyl)-4-(trifluoromethoxy)pyrrolidine
CID 163972116
4-(1-Fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 163972122
4-Ethoxy-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine
CID 163977875
1-Methyl-2-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 166984292
4-(Difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 170097467
N-[(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-yl]acetamide
CID 176612777
(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612956
(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612976
(2R,3S,4R,5S)-4-ethynyl-4-fluoro-N-methyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine
CID 176613155
(2R,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine
CID 99994987

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of (2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine (CID 99995044) is (2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for (2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for (2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine is CC(C)C[C@H]1C[C@@H](OCCF)CN1.
What is the InChIKey of (2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is ZKFCTYSSELMLLS-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20FNO/c1-8(2)5-9-6-10(7-12-9)13-4-3-11/h8-10,12H,3-7H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine?
(2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 189.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 99995044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).