ethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide

C14H20F3NO — CID 164603359

IUPACethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide
SMILESC=C/C=C1/CCC(NC(=O)C(F)(F)F)/C1=C/C.CC
InChIInChI=1S/C12H14F3NO.C2H6/c1-3-5-8-6-7-10(9(8)4-2)16-11(17)12(13,14)15;1-2/h3-5,10H,1,6-7H2,2H3,(H,16,17);1-2H3/b8-5-,9-4+;
InChIKeyFGNWFUHBHRYDLJ-HHHUAFAMSA-N
MW275.31 g/mol
LogP3.91
Rot. Bonds2

About ethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide

ethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide (PubChem CID 164603359) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is ethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound Nameethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide
PubChem CID164603359
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Nameethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide
SMILESC=C/C=C1/CCC(NC(=O)C(F)(F)F)/C1=C/C.CC
InChIInChI=1S/C12H14F3NO.C2H6/c1-3-5-8-6-7-10(9(8)4-2)16-11(17)12(13,14)15;1-2/h3-5,10H,1,6-7H2,2H3,(H,16,17);1-2H3/b8-5-,9-4+;
InChIKeyFGNWFUHBHRYDLJ-HHHUAFAMSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide?
The IUPAC name of ethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide (CID 164603359) is ethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for ethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for ethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide is C=C/C=C1/CCC(NC(=O)C(F)(F)F)/C1=C/C.CC.
What is the InChIKey of ethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide?
The InChIKey is FGNWFUHBHRYDLJ-HHHUAFAMSA-N. The full InChI is InChI=1S/C12H14F3NO.C2H6/c1-3-5-8-6-7-10(9(8)4-2)16-11(17)12(13,14)15;1-2/h3-5,10H,1,6-7H2,2H3,(H,16,17);1-2H3/b8-5-,9-4+;.
What are the key properties of ethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide?
ethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide has a molecular weight of 275.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E,3Z)-2-ethylidene-3-prop-2-enylidenecyclopentyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 164603359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).