(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane
CID 58944665
trans-(1S,2R)-2-(methoxymethyl)cyclopropan-1-amine
CID 131115476
(1S,2S,4R)-2-(methoxymethyl)-4-methylcyclopentan-1-ol
CID 58944642
(3R,4R,5S,6R)-5-fluoro-4-methoxy-3-(methoxymethyl)-6-methylcyclohexene
CID 58349936
3-(2-aminopropan-2-yl)-2-methoxy-5-(methoxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol
CID 166986957
1-ethyl-3-methoxy-2,4-dimethylcyclopentane
CID 123552020
(2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane
CID 163476629
2,3-difluoro-1-(methoxymethyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;molecular hydrogen;hydrate
CID 160630512
1-(methoxymethyl)-2-(trifluoromethoxymethyl)cyclopropane
CID 162607321
CID 154006888
CID 154006888
(2S,4S)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 131036688
(4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane
CID 166943978

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).