2-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane

C8H10ClF3 — CID 18680776

IUPAC2-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane
SMILESCC1(C)CC1/C=C(/Cl)C(F)(F)F
InChIInChI=1S/C8H10ClF3/c1-7(2)4-5(7)3-6(9)8(10,11)12/h3,5H,4H2,1-2H3/b6-3+
InChIKeyYHVYUZWLFCCYFT-ZZXKWVIFSA-N
MW198.61 g/mol
LogP3.72
Rot. Bonds1

About 2-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane

2-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane (PubChem CID 18680776) has the molecular formula C8H10ClF3 and a molecular weight of 198.61 g/mol. Its IUPAC name is 2-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane
PubChem CID18680776
Molecular FormulaC8H10ClF3
Molecular Weight198.61 g/mol
Exact Mass198.04
IUPAC Name2-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane
SMILESCC1(C)CC1/C=C(/Cl)C(F)(F)F
InChIInChI=1S/C8H10ClF3/c1-7(2)4-5(7)3-6(9)8(10,11)12/h3,5H,4H2,1-2H3/b6-3+
InChIKeyYHVYUZWLFCCYFT-ZZXKWVIFSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane?
The IUPAC name of 2-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane (CID 18680776) is 2-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane?
The canonical SMILES for 2-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane is CC1(C)CC1/C=C(/Cl)C(F)(F)F.
What is the InChIKey of 2-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane?
The InChIKey is YHVYUZWLFCCYFT-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H10ClF3/c1-7(2)4-5(7)3-6(9)8(10,11)12/h3,5H,4H2,1-2H3/b6-3+.
What are the key properties of 2-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane?
2-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane has a molecular weight of 198.61 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane is sourced from PubChem (CID 18680776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).