trans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane

C8H10F2 — CID 173488103

IUPACtrans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane
SMILESCC#C[C@@]1(F)C[C@@H]1C(C)F
InChIInChI=1S/C8H10F2/c1-3-4-8(10)5-7(8)6(2)9/h6-7H,5H2,1-2H3/t6?,7-,8-/m1/s1
InChIKeyUDCKNAAAWVHURF-SPDVFEMOSA-N
MW144.16 g/mol
LogP2.10
Rot. Bonds1

About trans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane

trans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane (PubChem CID 173488103) has the molecular formula C8H10F2 and a molecular weight of 144.16 g/mol. Its IUPAC name is trans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane
PubChem CID173488103
Molecular FormulaC8H10F2
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Nametrans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane
SMILESCC#C[C@@]1(F)C[C@@H]1C(C)F
InChIInChI=1S/C8H10F2/c1-3-4-8(10)5-7(8)6(2)9/h6-7H,5H2,1-2H3/t6?,7-,8-/m1/s1
InChIKeyUDCKNAAAWVHURF-SPDVFEMOSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane?
The IUPAC name of trans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane (CID 173488103) is trans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane.
What is the SMILES notation for trans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane?
The canonical SMILES for trans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane is CC#C[C@@]1(F)C[C@@H]1C(C)F.
What is the InChIKey of trans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane?
The InChIKey is UDCKNAAAWVHURF-SPDVFEMOSA-N. The full InChI is InChI=1S/C8H10F2/c1-3-4-8(10)5-7(8)6(2)9/h6-7H,5H2,1-2H3/t6?,7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane?
trans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane has a molecular weight of 144.16 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-fluoro-2-(1-fluoroethyl)-1-prop-1-ynylcyclopropane is sourced from PubChem (CID 173488103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).