ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol

C10H19F3O — CID 145372548

IUPACethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol
SMILESC=C/C(=C(\C)O)C(F)(F)F.CC.CC
InChIInChI=1S/C6H7F3O.2C2H6/c1-3-5(4(2)10)6(7,8)9;2*1-2/h3,10H,1H2,2H3;2*1-2H3/b5-4-;;
InChIKeyWVUBBCMERZCBKP-WNCVTPEDSA-N
MW212.25 g/mol
LogP4.62
Rot. Bonds1

About ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol

ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol (PubChem CID 145372548) has the molecular formula C10H19F3O and a molecular weight of 212.25 g/mol. Its IUPAC name is ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol.

Molecular Properties

Compound Nameethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol
PubChem CID145372548
Molecular FormulaC10H19F3O
Molecular Weight212.25 g/mol
Exact Mass212.14
IUPAC Nameethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol
SMILESC=C/C(=C(\C)O)C(F)(F)F.CC.CC
InChIInChI=1S/C6H7F3O.2C2H6/c1-3-5(4(2)10)6(7,8)9;2*1-2/h3,10H,1H2,2H3;2*1-2H3/b5-4-;;
InChIKeyWVUBBCMERZCBKP-WNCVTPEDSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol
CID 130281756
ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene
CID 145071766
1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene
CID 15204769
ethane;3,3,3-trifluoroprop-1-en-2-ol
CID 142267098
(3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene
CID 163624463
(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol
CID 143407155
2-methyl-2-(4-methylhexa-1,3-dien-3-yl)propanedioic acid
CID 90731067
4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine
CID 176552593
ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol
CID 143976518
(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
(3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
CID 162565488
(3Z)-4-(1,1-difluoroethyl)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane
CID 143601857

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol?
The IUPAC name of ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol (CID 145372548) is ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol.
What is the SMILES notation for ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol?
The canonical SMILES for ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol is C=C/C(=C(\C)O)C(F)(F)F.CC.CC.
What is the InChIKey of ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol?
The InChIKey is WVUBBCMERZCBKP-WNCVTPEDSA-N. The full InChI is InChI=1S/C6H7F3O.2C2H6/c1-3-5(4(2)10)6(7,8)9;2*1-2/h3,10H,1H2,2H3;2*1-2H3/b5-4-;;.
What are the key properties of ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol?
ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol has a molecular weight of 212.25 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol is sourced from PubChem (CID 145372548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).