(1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane

C9H13F3O — CID 131863587

IUPAC(1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane
SMILESC/C=C1\CCCC1OCC(F)(F)F
InChIInChI=1S/C9H13F3O/c1-2-7-4-3-5-8(7)13-6-9(10,11)12/h2,8H,3-6H2,1H3/b7-2+
InChIKeyKVZYYGUNGKZFNM-FARCUNLSSA-N
MW194.20 g/mol
LogP3.06
Rot. Bonds2

About (1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane

(1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane (PubChem CID 131863587) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is (1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane.

Molecular Properties

Compound Name(1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane
PubChem CID131863587
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name(1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane
SMILESC/C=C1\CCCC1OCC(F)(F)F
InChIInChI=1S/C9H13F3O/c1-2-7-4-3-5-8(7)13-6-9(10,11)12/h2,8H,3-6H2,1H3/b7-2+
InChIKeyKVZYYGUNGKZFNM-FARCUNLSSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methylprop-1-enyl)tetrahydrofuran
CID 12735917
4-Methyl-2-propyl-2,5-dihydrofuran
CID 12507022
(2S)-2-[(2S)-1,1-difluorobutan-2-yl]-2,5-dihydrofuran
CID 58208603
(2S)-2-(1,1-difluorobutan-2-yl)-2,5-dihydrofuran
CID 68371975
3,4-Di(ethylidene)-2-(trifluoromethyl)oxolane
CID 123869258
2-Methyl-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene
CID 143700753
(6Z)-3-methoxy-7-methyl-8-[(2E)-3-(trifluoromethyl)hepta-2,6-dienoxy]octa-1,6-diene
CID 144457138
ethane;(3Z,8E,12E)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene
CID 144457139
(3Z,8E,12E)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene
CID 144457140
(6Z)-3-methoxy-7-methyl-8-[(2Z)-3-(trifluoromethyl)hepta-2,6-dienoxy]octa-1,6-diene
CID 144457141
(3Z,7R,8E,12Z)-7-methoxy-3-methyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene
CID 144457143
(3Z,8E)-10,10-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene
CID 144515517

Frequently Asked Questions

What is the IUPAC name of (1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane?
The IUPAC name of (1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane (CID 131863587) is (1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane.
What is the SMILES notation for (1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane?
The canonical SMILES for (1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane is C/C=C1\CCCC1OCC(F)(F)F.
What is the InChIKey of (1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane?
The InChIKey is KVZYYGUNGKZFNM-FARCUNLSSA-N. The full InChI is InChI=1S/C9H13F3O/c1-2-7-4-3-5-8(7)13-6-9(10,11)12/h2,8H,3-6H2,1H3/b7-2+.
What are the key properties of (1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane?
(1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane has a molecular weight of 194.20 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane is sourced from PubChem (CID 131863587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).