(3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine

C16H22FNO2 — CID 71192913

IUPAC(3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine
SMILESFc1ccc(CO[C@@H]2CCN(C3CCOCC3)C2)cc1
InChIInChI=1S/C16H22FNO2/c17-14-3-1-13(2-4-14)12-20-16-5-8-18(11-16)15-6-9-19-10-7-15/h1-4,15-16H,5-12H2/t16-/m1/s1
InChIKeySNHGEEBNGOIVSY-MRXNPFEDSA-N
MW279.35 g/mol
LogP2.60
Rot. Bonds4

About (3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine

(3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine (PubChem CID 71192913) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is (3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine
PubChem CID71192913
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name(3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine
SMILESFc1ccc(CO[C@@H]2CCN(C3CCOCC3)C2)cc1
InChIInChI=1S/C16H22FNO2/c17-14-3-1-13(2-4-14)12-20-16-5-8-18(11-16)15-6-9-19-10-7-15/h1-4,15-16H,5-12H2/t16-/m1/s1
InChIKeySNHGEEBNGOIVSY-MRXNPFEDSA-N
XLogP2.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine?
The IUPAC name of (3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine (CID 71192913) is (3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine.
What is the SMILES notation for (3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine?
The canonical SMILES for (3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine is Fc1ccc(CO[C@@H]2CCN(C3CCOCC3)C2)cc1.
What is the InChIKey of (3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine?
The InChIKey is SNHGEEBNGOIVSY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22FNO2/c17-14-3-1-13(2-4-14)12-20-16-5-8-18(11-16)15-6-9-19-10-7-15/h1-4,15-16H,5-12H2/t16-/m1/s1.
What are the key properties of (3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine?
(3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine has a molecular weight of 279.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-fluorophenyl)methoxy]-1-(oxan-4-yl)pyrrolidine is sourced from PubChem (CID 71192913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).