trans-(1S,2S)-2-fluorocyclopentan-1-ol

C5H9FO — CID 68682324

IUPACtrans-(1S,2S)-2-fluorocyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1F
InChIInChI=1S/C5H9FO/c6-4-2-1-3-5(4)7/h4-5,7H,1-3H2/t4-,5-/m0/s1
InChIKeyBDIRIPRHYULGQH-WHFBIAKZSA-N
MW104.12 g/mol
LogP0.87
Rot. Bonds

About trans-(1S,2S)-2-fluorocyclopentan-1-ol

trans-(1S,2S)-2-fluorocyclopentan-1-ol (PubChem CID 68682324) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is trans-(1S,2S)-2-fluorocyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-fluorocyclopentan-1-ol
PubChem CID68682324
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Nametrans-(1S,2S)-2-fluorocyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1F
InChIInChI=1S/C5H9FO/c6-4-2-1-3-5(4)7/h4-5,7H,1-3H2/t4-,5-/m0/s1
InChIKeyBDIRIPRHYULGQH-WHFBIAKZSA-N
XLogP0.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol
CID 119031147
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
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CID 11907324
ethane;5-fluoro-1-methylazepan-4-ol
CID 166157376
cycloundecane-1,2-diol
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trans-(1S,2S)-cyclooctane-1,2-diol
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(1R)-1,3-difluoro-2-methylcyclohexane
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(1S)-1,3-difluoro-2-iodocyclohexane
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1,2-difluorocyclopentane;propane
CID 171503216

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-fluorocyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-fluorocyclopentan-1-ol (CID 68682324) is trans-(1S,2S)-2-fluorocyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-fluorocyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-fluorocyclopentan-1-ol is O[C@H]1CCC[C@@H]1F.
What is the InChIKey of trans-(1S,2S)-2-fluorocyclopentan-1-ol?
The InChIKey is BDIRIPRHYULGQH-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H9FO/c6-4-2-1-3-5(4)7/h4-5,7H,1-3H2/t4-,5-/m0/s1.
What are the key properties of trans-(1S,2S)-2-fluorocyclopentan-1-ol?
trans-(1S,2S)-2-fluorocyclopentan-1-ol has a molecular weight of 104.12 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-fluorocyclopentan-1-ol is sourced from PubChem (CID 68682324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).