trans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane

C8H15FO — CID 164822350

IUPACtrans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane
SMILESCC(C)O[C@@H]1CCC[C@H]1F
InChIInChI=1S/C8H15FO/c1-6(2)10-8-5-3-4-7(8)9/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyLOBNKMINSXETTL-HTQZYQBOSA-N
MW146.21 g/mol
LogP2.30
Rot. Bonds2

About trans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane

trans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane (PubChem CID 164822350) has the molecular formula C8H15FO and a molecular weight of 146.21 g/mol. Its IUPAC name is trans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane
PubChem CID164822350
Molecular FormulaC8H15FO
Molecular Weight146.21 g/mol
Exact Mass146.11
IUPAC Nametrans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane
SMILESCC(C)O[C@@H]1CCC[C@H]1F
InChIInChI=1S/C8H15FO/c1-6(2)10-8-5-3-4-7(8)9/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyLOBNKMINSXETTL-HTQZYQBOSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane?
The IUPAC name of trans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane (CID 164822350) is trans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane.
What is the SMILES notation for trans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane?
The canonical SMILES for trans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane is CC(C)O[C@@H]1CCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane?
The InChIKey is LOBNKMINSXETTL-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15FO/c1-6(2)10-8-5-3-4-7(8)9/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane?
trans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane has a molecular weight of 146.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane is sourced from PubChem (CID 164822350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).