(3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine

C9H18FNO — CID 58215858

IUPAC(3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCCN1CC[C@H](F)C1
InChIInChI=1S/C9H18FNO/c1-8(2)12-6-5-11-4-3-9(10)7-11/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyRPMRHQFQLUXCSZ-VIFPVBQESA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds4

About (3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine

(3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine (PubChem CID 58215858) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
PubChem CID58215858
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCCN1CC[C@H](F)C1
InChIInChI=1S/C9H18FNO/c1-8(2)12-6-5-11-4-3-9(10)7-11/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyRPMRHQFQLUXCSZ-VIFPVBQESA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methoxyethyl)-1-methylpyrrolidin-1-ium
CID 12157913
1-Methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
CID 18722933
1-Methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 18722936
1-Methyl-3-(4,4,4-trifluorobutoxy)pyrrolidine
CID 18722941
3-Fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
CID 20742857
3,3-Difluoro-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 57585794
3-Fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140054
3,3-Difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140093
(3S)-3-fluoro-1-(2-methoxyethyl)pyrrolidine
CID 58222004
(3R)-3-fluoro-1-(2-methoxyethyl)pyrrolidine
CID 58222091
(3S)-3-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 58968845
N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
CID 59203956

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine?
The IUPAC name of (3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine (CID 58215858) is (3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine?
The canonical SMILES for (3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine is CC(C)OCCN1CC[C@H](F)C1.
What is the InChIKey of (3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine?
The InChIKey is RPMRHQFQLUXCSZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2)12-6-5-11-4-3-9(10)7-11/h8-9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine?
(3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine is sourced from PubChem (CID 58215858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).