trans-(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride

C6H11FO3S — CID 165453431

IUPACtrans-(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride
SMILESCO[C@@H]1CCC[C@H]1S(=O)(=O)F
InChIInChI=1S/C6H11FO3S/c1-10-5-3-2-4-6(5)11(7,8)9/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyYHDNFOFCQVYGBP-PHDIDXHHSA-N
MW182.22 g/mol
LogP0.85
Rot. Bonds2

About trans-(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride

trans-(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride (PubChem CID 165453431) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride
PubChem CID165453431
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Nametrans-(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride
SMILESCO[C@@H]1CCC[C@H]1S(=O)(=O)F
InChIInChI=1S/C6H11FO3S/c1-10-5-3-2-4-6(5)11(7,8)9/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyYHDNFOFCQVYGBP-PHDIDXHHSA-N
XLogP0.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(1R,2S)-2-methoxycyclopentane-1-sulfonyl chloride
CID 122163732
rac-(1R,2S)-2-(propan-2-yloxy)cyclopentane-1-sulfonyl chloride
CID 138039759
trans-(1S,2S)-2-methoxycyclopentane-1-sulfonyl chloride
CID 124709179
Oxolan-2-ylmethanesulfonyl fluoride
CID 122236584
[(2R)-oxolan-2-yl]methanesulfonyl fluoride
CID 124870712
[(2S)-oxolan-2-yl]methanesulfonyl fluoride
CID 124870713
2-Methoxypentane-1-sulfonyl fluoride
CID 164664043
2-Hydroxycyclopentane-1-sulfonyl fluoride
CID 165452588
rac-(1R,2S)-2-methoxycyclopentane-1-sulfonyl fluoride
CID 165459359
2-Methyloxolane-3-sulfonyl fluoride
CID 165460627
(1R,2S)-2-methoxycyclopentane-1-sulfonyl fluoride
CID 165461080
5-Methoxypentane-2-sulfonyl fluoride
CID 165502132

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride?
The IUPAC name of trans-(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride (CID 165453431) is trans-(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride.
What is the SMILES notation for trans-(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride?
The canonical SMILES for trans-(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride is CO[C@@H]1CCC[C@H]1S(=O)(=O)F.
What is the InChIKey of trans-(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride?
The InChIKey is YHDNFOFCQVYGBP-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11FO3S/c1-10-5-3-2-4-6(5)11(7,8)9/h5-6H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride?
trans-(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride has a molecular weight of 182.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methoxycyclopentane-1-sulfonyl fluoride is sourced from PubChem (CID 165453431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).