(Z)-4,5,5,5-tetrafluoro-3-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-4-(trifluoromethyl)pent-2-en-1-ol

C12H10F14O3 — CID 162600133

IUPAC(Z)-4,5,5,5-tetrafluoro-3-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-4-(trifluoromethyl)pent-2-en-1-ol
SMILESOC/C=C(\OC(CO)CC(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10F14O3/c13-7(9(15,16)17,10(18,19)20)3-5(4-28)29-6(1-2-27)8(14,11(21,22)23)12(24,25)26/h1,5,27-28H,2-4H2/b6-1-
InChIKeyMIQQFKRDGUNYOK-BHQIHCQQSA-N
MW468.18 g/mol
LogP4.30
Rot. Bonds7

About (Z)-4,5,5,5-tetrafluoro-3-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-4-(trifluoromethyl)pent-2-en-1-ol

(Z)-4,5,5,5-tetrafluoro-3-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-4-(trifluoromethyl)pent-2-en-1-ol (PubChem CID 162600133) has the molecular formula C12H10F14O3 and a molecular weight of 468.18 g/mol. Its IUPAC name is (Z)-4,5,5,5-tetrafluoro-3-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-4-(trifluoromethyl)pent-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4,5,5,5-tetrafluoro-3-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-4-(trifluoromethyl)pent-2-en-1-ol
PubChem CID162600133
Molecular FormulaC12H10F14O3
Molecular Weight468.18 g/mol
Exact Mass468.04
IUPAC Name(Z)-4,5,5,5-tetrafluoro-3-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-4-(trifluoromethyl)pent-2-en-1-ol
SMILESOC/C=C(\OC(CO)CC(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10F14O3/c13-7(9(15,16)17,10(18,19)20)3-5(4-28)29-6(1-2-27)8(14,11(21,22)23)12(24,25)26/h1,5,27-28H,2-4H2/b6-1-
InChIKeyMIQQFKRDGUNYOK-BHQIHCQQSA-N
XLogP4.30
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.18
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,5,5,5-tetrafluoro-3-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-4-(trifluoromethyl)pent-2-en-1-ol?
The IUPAC name of (Z)-4,5,5,5-tetrafluoro-3-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-4-(trifluoromethyl)pent-2-en-1-ol (CID 162600133) is (Z)-4,5,5,5-tetrafluoro-3-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-4-(trifluoromethyl)pent-2-en-1-ol.
What is the SMILES notation for (Z)-4,5,5,5-tetrafluoro-3-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-4-(trifluoromethyl)pent-2-en-1-ol?
The canonical SMILES for (Z)-4,5,5,5-tetrafluoro-3-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-4-(trifluoromethyl)pent-2-en-1-ol is OC/C=C(\OC(CO)CC(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-4,5,5,5-tetrafluoro-3-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-4-(trifluoromethyl)pent-2-en-1-ol?
The InChIKey is MIQQFKRDGUNYOK-BHQIHCQQSA-N. The full InChI is InChI=1S/C12H10F14O3/c13-7(9(15,16)17,10(18,19)20)3-5(4-28)29-6(1-2-27)8(14,11(21,22)23)12(24,25)26/h1,5,27-28H,2-4H2/b6-1-.
What are the key properties of (Z)-4,5,5,5-tetrafluoro-3-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-4-(trifluoromethyl)pent-2-en-1-ol?
(Z)-4,5,5,5-tetrafluoro-3-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-4-(trifluoromethyl)pent-2-en-1-ol has a molecular weight of 468.18 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,5,5,5-tetrafluoro-3-[4,5,5,5-tetrafluoro-1-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-4-(trifluoromethyl)pent-2-en-1-ol is sourced from PubChem (CID 162600133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).