trans-(1S,2S)-1-fluoro-2-methylcyclopentane

C6H11F — CID 15261628

IUPACtrans-(1S,2S)-1-fluoro-2-methylcyclopentane
SMILESC[C@H]1CCC[C@@H]1F
InChIInChI=1S/C6H11F/c1-5-3-2-4-6(5)7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyFVQROIUBZMBKTG-WDSKDSINSA-N
MW102.15 g/mol
LogP2.14
Rot. Bonds

About trans-(1S,2S)-1-fluoro-2-methylcyclopentane

trans-(1S,2S)-1-fluoro-2-methylcyclopentane (PubChem CID 15261628) has the molecular formula C6H11F and a molecular weight of 102.15 g/mol. Its IUPAC name is trans-(1S,2S)-1-fluoro-2-methylcyclopentane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-fluoro-2-methylcyclopentane
PubChem CID15261628
Molecular FormulaC6H11F
Molecular Weight102.15 g/mol
Exact Mass102.08
IUPAC Nametrans-(1S,2S)-1-fluoro-2-methylcyclopentane
SMILESC[C@H]1CCC[C@@H]1F
InChIInChI=1S/C6H11F/c1-5-3-2-4-6(5)7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyFVQROIUBZMBKTG-WDSKDSINSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.15
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-fluoro-2-methylcyclopentane?
The IUPAC name of trans-(1S,2S)-1-fluoro-2-methylcyclopentane (CID 15261628) is trans-(1S,2S)-1-fluoro-2-methylcyclopentane.
What is the SMILES notation for trans-(1S,2S)-1-fluoro-2-methylcyclopentane?
The canonical SMILES for trans-(1S,2S)-1-fluoro-2-methylcyclopentane is C[C@H]1CCC[C@@H]1F.
What is the InChIKey of trans-(1S,2S)-1-fluoro-2-methylcyclopentane?
The InChIKey is FVQROIUBZMBKTG-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11F/c1-5-3-2-4-6(5)7/h5-6H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of trans-(1S,2S)-1-fluoro-2-methylcyclopentane?
trans-(1S,2S)-1-fluoro-2-methylcyclopentane has a molecular weight of 102.15 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-fluoro-2-methylcyclopentane is sourced from PubChem (CID 15261628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).