7,7,7-trifluoro-2-methylhept-2-en-4-ol

C8H13F3O — CID 115817040

IUPAC7,7,7-trifluoro-2-methylhept-2-en-4-ol
SMILESCC(C)=CC(O)CCC(F)(F)F
InChIInChI=1S/C8H13F3O/c1-6(2)5-7(12)3-4-8(9,10)11/h5,7,12H,3-4H2,1-2H3
InChIKeyGAOYSWFWPDIPTJ-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.66
Rot. Bonds3

About 7,7,7-trifluoro-2-methylhept-2-en-4-ol

7,7,7-trifluoro-2-methylhept-2-en-4-ol (PubChem CID 115817040) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 7,7,7-trifluoro-2-methylhept-2-en-4-ol.

Molecular Properties

Compound Name7,7,7-trifluoro-2-methylhept-2-en-4-ol
PubChem CID115817040
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name7,7,7-trifluoro-2-methylhept-2-en-4-ol
SMILESCC(C)=CC(O)CCC(F)(F)F
InChIInChI=1S/C8H13F3O/c1-6(2)5-7(12)3-4-8(9,10)11/h5,7,12H,3-4H2,1-2H3
InChIKeyGAOYSWFWPDIPTJ-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol
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4-methyl-1-(1-methylcyclopropyl)pent-3-en-2-ol
CID 130941634
2,6-dimethylocta-2,6-dien-4-ol
CID 57084943
tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate
CID 46201510
2,6-dimethylocta-2,7-dien-4-ol
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6,6,6-trifluoro-2-hydroxyhexan-3-one
CID 103451387
(1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol
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5-methyl-1-phenoxyhex-4-en-3-ol
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(E)-3,6,6,6-tetrafluorohex-2-ene
CID 160731192

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-2-methylhept-2-en-4-ol?
The IUPAC name of 7,7,7-trifluoro-2-methylhept-2-en-4-ol (CID 115817040) is 7,7,7-trifluoro-2-methylhept-2-en-4-ol.
What is the SMILES notation for 7,7,7-trifluoro-2-methylhept-2-en-4-ol?
The canonical SMILES for 7,7,7-trifluoro-2-methylhept-2-en-4-ol is CC(C)=CC(O)CCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-2-methylhept-2-en-4-ol?
The InChIKey is GAOYSWFWPDIPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-6(2)5-7(12)3-4-8(9,10)11/h5,7,12H,3-4H2,1-2H3.
What are the key properties of 7,7,7-trifluoro-2-methylhept-2-en-4-ol?
7,7,7-trifluoro-2-methylhept-2-en-4-ol has a molecular weight of 182.18 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-2-methylhept-2-en-4-ol is sourced from PubChem (CID 115817040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).