trans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane

C9H17FO3 — CID 163986686

IUPACtrans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane
SMILESCOCC1(F)[C@@H](OC)CC[C@@H]1OC
InChIInChI=1S/C9H17FO3/c1-11-6-9(10)7(12-2)4-5-8(9)13-3/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyOCCNGSNXWWSBAG-YUMQZZPRSA-N
MW192.23 g/mol
LogP1.16
Rot. Bonds4

About trans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane

trans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane (PubChem CID 163986686) has the molecular formula C9H17FO3 and a molecular weight of 192.23 g/mol. Its IUPAC name is trans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane.

Molecular Properties

Compound Nametrans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane
PubChem CID163986686
Molecular FormulaC9H17FO3
Molecular Weight192.23 g/mol
Exact Mass192.12
IUPAC Nametrans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane
SMILESCOCC1(F)[C@@H](OC)CC[C@@H]1OC
InChIInChI=1S/C9H17FO3/c1-11-6-9(10)7(12-2)4-5-8(9)13-3/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyOCCNGSNXWWSBAG-YUMQZZPRSA-N
XLogP1.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane
CID 171795307
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane
CID 22292468
1,1,2,2,3,3-hexafluoro-4-methoxycyclopentane
CID 121234851
3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane
CID 143973779
ethane;1-(methoxymethyl)-1,2-dimethylcyclobutane;3-methylspiro[3.3]heptane
CID 164868577
2-methoxy-1,1-dimethylcyclobutane
CID 58806257
2-methoxy-1,1,5-trimethylcyclohexane
CID 59938882
2-chloro-1,1-bis(methoxymethyl)cyclobutane
CID 141062332
8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 19105347
(4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one
CID 101002966
ethane;methane;[(3S)-4-methoxy-1,3-dimethylpiperidin-3-yl]methanol
CID 178038181
CID 153035258
CID 153035258

Frequently Asked Questions

What is the IUPAC name of trans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane?
The IUPAC name of trans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane (CID 163986686) is trans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane.
What is the SMILES notation for trans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane?
The canonical SMILES for trans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane is COCC1(F)[C@@H](OC)CC[C@@H]1OC.
What is the InChIKey of trans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane?
The InChIKey is OCCNGSNXWWSBAG-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H17FO3/c1-11-6-9(10)7(12-2)4-5-8(9)13-3/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of trans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane?
trans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane has a molecular weight of 192.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane is sourced from PubChem (CID 163986686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).