(4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane

C15H25FO2 — CID 167163087

IUPAC(4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane
SMILESCOC12CC(C(C)CC3C[C@@H](C)[C@H](F)CO3)(C1)C2
InChIInChI=1S/C15H25FO2/c1-10-4-12(18-6-13(10)16)5-11(2)14-7-15(8-14,9-14)17-3/h10-13H,4-9H2,1-3H3/t10-,11?,12?,13-,14?,15?/m1/s1
InChIKeyGJVVDRJGKBRSTJ-DRZKUIKGSA-N
MW256.36 g/mol
LogP3.34
Rot. Bonds4

About (4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane

(4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane (PubChem CID 167163087) has the molecular formula C15H25FO2 and a molecular weight of 256.36 g/mol. Its IUPAC name is (4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane.

Molecular Properties

Compound Name(4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane
PubChem CID167163087
Molecular FormulaC15H25FO2
Molecular Weight256.36 g/mol
Exact Mass256.18
IUPAC Name(4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane
SMILESCOC12CC(C(C)CC3C[C@@H](C)[C@H](F)CO3)(C1)C2
InChIInChI=1S/C15H25FO2/c1-10-4-12(18-6-13(10)16)5-11(2)14-7-15(8-14,9-14)17-3/h10-13H,4-9H2,1-3H3/t10-,11?,12?,13-,14?,15?/m1/s1
InChIKeyGJVVDRJGKBRSTJ-DRZKUIKGSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane?
The IUPAC name of (4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane (CID 167163087) is (4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane.
What is the SMILES notation for (4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane?
The canonical SMILES for (4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane is COC12CC(C(C)CC3C[C@@H](C)[C@H](F)CO3)(C1)C2.
What is the InChIKey of (4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane?
The InChIKey is GJVVDRJGKBRSTJ-DRZKUIKGSA-N. The full InChI is InChI=1S/C15H25FO2/c1-10-4-12(18-6-13(10)16)5-11(2)14-7-15(8-14,9-14)17-3/h10-13H,4-9H2,1-3H3/t10-,11?,12?,13-,14?,15?/m1/s1.
What are the key properties of (4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane?
(4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane has a molecular weight of 256.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-fluoro-2-[2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)propyl]-4-methyloxane is sourced from PubChem (CID 167163087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).