(1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane

C9H17FO2 — CID 163447568

IUPAC(1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane
SMILESCOC[C@H]1C[C@@H](C)[C@H](F)C1OC
InChIInChI=1S/C9H17FO2/c1-6-4-7(5-11-2)9(12-3)8(6)10/h6-9H,4-5H2,1-3H3/t6-,7-,8+,9?/m1/s1
InChIKeyBQZUDCFZYHEIQD-JSXQXQAOSA-N
MW176.23 g/mol
LogP1.64
Rot. Bonds3

About (1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane

(1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane (PubChem CID 163447568) has the molecular formula C9H17FO2 and a molecular weight of 176.23 g/mol. Its IUPAC name is (1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane.

Molecular Properties

Compound Name(1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane
PubChem CID163447568
Molecular FormulaC9H17FO2
Molecular Weight176.23 g/mol
Exact Mass176.12
IUPAC Name(1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane
SMILESCOC[C@H]1C[C@@H](C)[C@H](F)C1OC
InChIInChI=1S/C9H17FO2/c1-6-4-7(5-11-2)9(12-3)8(6)10/h6-9H,4-5H2,1-3H3/t6-,7-,8+,9?/m1/s1
InChIKeyBQZUDCFZYHEIQD-JSXQXQAOSA-N
XLogP1.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane?
The IUPAC name of (1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane (CID 163447568) is (1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane.
What is the SMILES notation for (1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane?
The canonical SMILES for (1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane is COC[C@H]1C[C@@H](C)[C@H](F)C1OC.
What is the InChIKey of (1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane?
The InChIKey is BQZUDCFZYHEIQD-JSXQXQAOSA-N. The full InChI is InChI=1S/C9H17FO2/c1-6-4-7(5-11-2)9(12-3)8(6)10/h6-9H,4-5H2,1-3H3/t6-,7-,8+,9?/m1/s1.
What are the key properties of (1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane?
(1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane has a molecular weight of 176.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane is sourced from PubChem (CID 163447568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).