trans-(1R,2R)-1-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane

C7H9F3 — CID 13379955

IUPACtrans-(1R,2R)-1-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane
SMILESC=C(C)[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C7H9F3/c1-4(2)5-3-6(5)7(8,9)10/h5-6H,1,3H2,2H3/t5-,6+/m0/s1
InChIKeyFINNMDVTAJNYIO-NTSWFWBYSA-N
MW150.14 g/mol
LogP2.76
Rot. Bonds1

About trans-(1R,2R)-1-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane

trans-(1R,2R)-1-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane (PubChem CID 13379955) has the molecular formula C7H9F3 and a molecular weight of 150.14 g/mol. Its IUPAC name is trans-(1R,2R)-1-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane
PubChem CID13379955
Molecular FormulaC7H9F3
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Nametrans-(1R,2R)-1-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane
SMILESC=C(C)[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C7H9F3/c1-4(2)5-3-6(5)7(8,9)10/h5-6H,1,3H2,2H3/t5-,6+/m0/s1
InChIKeyFINNMDVTAJNYIO-NTSWFWBYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane?
The IUPAC name of trans-(1R,2R)-1-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane (CID 13379955) is trans-(1R,2R)-1-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane.
What is the SMILES notation for trans-(1R,2R)-1-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane?
The canonical SMILES for trans-(1R,2R)-1-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane is C=C(C)[C@@H]1C[C@H]1C(F)(F)F.
What is the InChIKey of trans-(1R,2R)-1-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane?
The InChIKey is FINNMDVTAJNYIO-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H9F3/c1-4(2)5-3-6(5)7(8,9)10/h5-6H,1,3H2,2H3/t5-,6+/m0/s1.
What are the key properties of trans-(1R,2R)-1-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane?
trans-(1R,2R)-1-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane has a molecular weight of 150.14 g/mol, XLogP of 2.76, 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-prop-1-en-2-yl-2-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 13379955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).