trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid

C6H9FO3 — CID 119094489

IUPACtrans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)[C@]1(O)CCC[C@H]1F
InChIInChI=1S/C6H9FO3/c7-4-2-1-3-6(4,10)5(8)9/h4,10H,1-3H2,(H,8,9)/t4-,6+/m1/s1
InChIKeyKCSFWUOEIBFRKS-XINAWCOVSA-N
MW148.13 g/mol
LogP0.32
Rot. Bonds1

About trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid

trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid (PubChem CID 119094489) has the molecular formula C6H9FO3 and a molecular weight of 148.13 g/mol. Its IUPAC name is trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid
PubChem CID119094489
Molecular FormulaC6H9FO3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Nametrans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)[C@]1(O)CCC[C@H]1F
InChIInChI=1S/C6H9FO3/c7-4-2-1-3-6(4,10)5(8)9/h4,10H,1-3H2,(H,8,9)/t4-,6+/m1/s1
InChIKeyKCSFWUOEIBFRKS-XINAWCOVSA-N
XLogP0.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1,2-difluorocyclopentyl)carbamic acid
CID 67128390
1,2-difluorocyclopentane-1-carbonyl chloride
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2-(cyclohexylamino)-1-hydroxycyclohexane-1-carboxylic acid
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3-fluoro-1-methylcyclohexane-1-carboxylic acid
CID 84764228
1-aminocyclopentane-1,2-dicarboxylic acid;azane
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1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone
CID 171582069
(2S)-2-fluorocyclopropane-1,1-dicarboxylic acid
CID 93497127
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
1-(2-amino-1-hydroxycyclopentyl)ethanone
CID 67891838
1-amino-2-fluorocyclohexan-1-ol
CID 172807708
1,4-difluorocyclohexane-1-carboxylic acid
CID 141145734

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid (CID 119094489) is trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid is O=C(O)[C@]1(O)CCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid?
The InChIKey is KCSFWUOEIBFRKS-XINAWCOVSA-N. The full InChI is InChI=1S/C6H9FO3/c7-4-2-1-3-6(4,10)5(8)9/h4,10H,1-3H2,(H,8,9)/t4-,6+/m1/s1.
What are the key properties of trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid?
trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid has a molecular weight of 148.13 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 119094489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).