(2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine

C10H19F2NO — CID 146652796

IUPAC(2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@@H]1CCCN1CC(F)F
InChIInChI=1S/C10H19F2NO/c1-8(2)14-7-9-4-3-5-13(9)6-10(11)12/h8-10H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyQCXWSXHKLMEVMR-VIFPVBQESA-N
MW207.26 g/mol
LogP2.14
Rot. Bonds5

About (2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine

(2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 146652796) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is (2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID146652796
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name(2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@@H]1CCCN1CC(F)F
InChIInChI=1S/C10H19F2NO/c1-8(2)14-7-9-4-3-5-13(9)6-10(11)12/h8-10H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyQCXWSXHKLMEVMR-VIFPVBQESA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R,5S)-4-Fluorotetrahydro-N,N,N,5-tetramethyl-2-furanmethanaminium
CID 195699
[(2S,5S)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 9990216
[(2R,5S)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10442649
[(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10495976
[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10591832
N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 10998362
[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 15930135
1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine
CID 57486602
1-[2-(2,2-Difluoropropoxy)cyclohexyl]pyrrolidine
CID 58341560
(2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 59028649
2-(1,1,1-Trifluoropropan-2-yloxymethyl)pyrrolidine
CID 66274591
(2S,4S)-4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine
CID 68087112

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine (CID 146652796) is (2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OC[C@@H]1CCCN1CC(F)F.
What is the InChIKey of (2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is QCXWSXHKLMEVMR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8(2)14-7-9-4-3-5-13(9)6-10(11)12/h8-10H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine?
(2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 207.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 146652796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).