(Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol

C10H12F6O — CID 143026068

IUPAC(Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol
SMILESCC1(C/C=C\C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C10H12F6O/c1-7(5-6-7)3-2-4-8(17,9(11,12)13)10(14,15)16/h2,4,17H,3,5-6H2,1H3/b4-2-
InChIKeyGMZVGVJXOBESEL-RQOWECAXSA-N
MW262.19 g/mol
LogP3.59
Rot. Bonds3

About (Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol

(Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol (PubChem CID 143026068) has the molecular formula C10H12F6O and a molecular weight of 262.19 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol
PubChem CID143026068
Molecular FormulaC10H12F6O
Molecular Weight262.19 g/mol
Exact Mass262.08
IUPAC Name(Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol
SMILESCC1(C/C=C\C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C10H12F6O/c1-7(5-6-7)3-2-4-8(17,9(11,12)13)10(14,15)16/h2,4,17H,3,5-6H2,1H3/b4-2-
InChIKeyGMZVGVJXOBESEL-RQOWECAXSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol?
The IUPAC name of (Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol (CID 143026068) is (Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol.
What is the SMILES notation for (Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol?
The canonical SMILES for (Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol is CC1(C/C=C\C(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of (Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol?
The InChIKey is GMZVGVJXOBESEL-RQOWECAXSA-N. The full InChI is InChI=1S/C10H12F6O/c1-7(5-6-7)3-2-4-8(17,9(11,12)13)10(14,15)16/h2,4,17H,3,5-6H2,1H3/b4-2-.
What are the key properties of (Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol?
(Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol has a molecular weight of 262.19 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol is sourced from PubChem (CID 143026068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).