(E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol

C10H14F6O — CID 147960581

IUPAC(E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol
SMILESCCCC/C=C/CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6O/c1-2-3-4-5-6-7-8(17,9(11,12)13)10(14,15)16/h5-6,17H,2-4,7H2,1H3/b6-5+
InChIKeyIPKBXDWGKVCPSC-AATRIKPKSA-N
MW264.21 g/mol
LogP3.98
Rot. Bonds5

About (E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol

(E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol (PubChem CID 147960581) has the molecular formula C10H14F6O and a molecular weight of 264.21 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol
PubChem CID147960581
Molecular FormulaC10H14F6O
Molecular Weight264.21 g/mol
Exact Mass264.09
IUPAC Name(E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol
SMILESCCCC/C=C/CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6O/c1-2-3-4-5-6-7-8(17,9(11,12)13)10(14,15)16/h5-6,17H,2-4,7H2,1H3/b6-5+
InChIKeyIPKBXDWGKVCPSC-AATRIKPKSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol?
The IUPAC name of (E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol (CID 147960581) is (E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol.
What is the SMILES notation for (E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol?
The canonical SMILES for (E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol is CCCC/C=C/CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol?
The InChIKey is IPKBXDWGKVCPSC-AATRIKPKSA-N. The full InChI is InChI=1S/C10H14F6O/c1-2-3-4-5-6-7-8(17,9(11,12)13)10(14,15)16/h5-6,17H,2-4,7H2,1H3/b6-5+.
What are the key properties of (E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol?
(E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol has a molecular weight of 264.21 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol is sourced from PubChem (CID 147960581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).