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

C10H14ClF3 — CID 88973057

IUPAC2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-3-ethyl-1,1-dimethylcyclopropane
SMILESCCC1C(/C=C(\Cl)C(F)(F)F)C1(C)C
InChIInChI=1S/C10H14ClF3/c1-4-6-7(9(6,2)3)5-8(11)10(12,13)14/h5-7H,4H2,1-3H3/b8-5-
InChIKeyATQGHOWFURLLLC-YVMONPNESA-N
MW226.67 g/mol
LogP4.35
Rot. Bonds2

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

2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-3-ethyl-1,1-dimethylcyclopropane (PubChem CID 88973057) has the molecular formula C10H14ClF3 and a molecular weight of 226.67 g/mol. Its IUPAC name is 2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-3-ethyl-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-3-ethyl-1,1-dimethylcyclopropane
PubChem CID88973057
Molecular FormulaC10H14ClF3
Molecular Weight226.67 g/mol
Exact Mass226.07
IUPAC Name2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-3-ethyl-1,1-dimethylcyclopropane
SMILESCCC1C(/C=C(\Cl)C(F)(F)F)C1(C)C
InChIInChI=1S/C10H14ClF3/c1-4-6-7(9(6,2)3)5-8(11)10(12,13)14/h5-7H,4H2,1-3H3/b8-5-
InChIKeyATQGHOWFURLLLC-YVMONPNESA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-3-ethyl-1,1-dimethylcyclopropane?
The IUPAC name of 2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-3-ethyl-1,1-dimethylcyclopropane (CID 88973057) is 2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-3-ethyl-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-3-ethyl-1,1-dimethylcyclopropane?
The canonical SMILES for 2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-3-ethyl-1,1-dimethylcyclopropane is CCC1C(/C=C(\Cl)C(F)(F)F)C1(C)C.
What is the InChIKey of 2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-3-ethyl-1,1-dimethylcyclopropane?
The InChIKey is ATQGHOWFURLLLC-YVMONPNESA-N. The full InChI is InChI=1S/C10H14ClF3/c1-4-6-7(9(6,2)3)5-8(11)10(12,13)14/h5-7H,4H2,1-3H3/b8-5-.
What are the key properties of 2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-3-ethyl-1,1-dimethylcyclopropane?
2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-3-ethyl-1,1-dimethylcyclopropane has a molecular weight of 226.67 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-3-ethyl-1,1-dimethylcyclopropane is sourced from PubChem (CID 88973057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).