(2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine

C9H18FNO — CID 99995005

IUPAC(2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine
SMILESCCC[C@@H]1C[C@@H](OCCF)CN1
InChIInChI=1S/C9H18FNO/c1-2-3-8-6-9(7-11-8)12-5-4-10/h8-9,11H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyFKQFCGFLYOHGQQ-RKDXNWHRSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds5

About (2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine

(2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine (PubChem CID 99995005) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine.

Molecular Properties

Compound Name(2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine
PubChem CID99995005
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine
SMILESCCC[C@@H]1C[C@@H](OCCF)CN1
InChIInChI=1S/C9H18FNO/c1-2-3-8-6-9(7-11-8)12-5-4-10/h8-9,11H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyFKQFCGFLYOHGQQ-RKDXNWHRSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-(fluoromethyl)-4-methoxypyrrolidine hydrochloride
CID 137838555
(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine hydrochloride
CID 146049396
N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine
CID 93468164
CID 59892777
CID 59892777
2-(1,1,1-Trifluoropropan-2-yloxymethyl)pyrrolidine
CID 66274591
(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine
CID 86724497
2-(Fluoromethyl)-4-methoxypyrrolidine
CID 123952054
4,4-Difluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 139417849
(4R)-2-(fluoromethyl)-4-methoxypyrrolidine
CID 147481468
cis-(1R,6S)-2,2-difluoro-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine
CID 156429499
(6S)-2,2-difluoro-6-[(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine
CID 156429808
cis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine
CID 156745894

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine?
The IUPAC name of (2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine (CID 99995005) is (2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine.
What is the SMILES notation for (2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine?
The canonical SMILES for (2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine is CCC[C@@H]1C[C@@H](OCCF)CN1.
What is the InChIKey of (2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine?
The InChIKey is FKQFCGFLYOHGQQ-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18FNO/c1-2-3-8-6-9(7-11-8)12-5-4-10/h8-9,11H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of (2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine?
(2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine is sourced from PubChem (CID 99995005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).