1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol

C8H11F3O — CID 58693356

IUPAC1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol
SMILESC=CCC(CC(=C)F)C(O)(F)F
InChIInChI=1S/C8H11F3O/c1-3-4-7(5-6(2)9)8(10,11)12/h3,7,12H,1-2,4-5H2
InChIKeyBIUZUKHLENTLFF-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.64
Rot. Bonds5

About 1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol

1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol (PubChem CID 58693356) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol.

Molecular Properties

Compound Name1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol
PubChem CID58693356
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol
SMILESC=CCC(CC(=C)F)C(O)(F)F
InChIInChI=1S/C8H11F3O/c1-3-4-7(5-6(2)9)8(10,11)12/h3,7,12H,1-2,4-5H2
InChIKeyBIUZUKHLENTLFF-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.64
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

1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol
CID 20760669
(4R)-5,5,5-trifluoro-4-methylpent-1-ene
CID 89023731
2-fluoro-5-propylocta-1,7-diene
CID 167182479
4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-3-prop-2-enyldecanethioic S-acid
CID 118305384
3-prop-2-enylhexa-1,5-dien-2-ylsilane
CID 173001992
4-bromo-5,5,6-trifluoroocta-1,6-diene
CID 90803542
(5S)-5-benzyl-4-prop-2-enylocta-1,7-dien-4-ol
CID 10945056
6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene
CID 87159227
2-(trifluoromethoxymethyl)buta-1,3-diene
CID 59097403
(4S)-4-ethyl-3,3-dimethylhepta-1,6-diene
CID 59039339
6-iodo-4,6-bis(trifluoromethyl)oct-1-ene
CID 143087548
5-(trifluoromethyl)octa-1,7-dien-4-one
CID 10921356

Frequently Asked Questions

What is the IUPAC name of 1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol?
The IUPAC name of 1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol (CID 58693356) is 1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol.
What is the SMILES notation for 1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol?
The canonical SMILES for 1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol is C=CCC(CC(=C)F)C(O)(F)F.
What is the InChIKey of 1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol?
The InChIKey is BIUZUKHLENTLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c1-3-4-7(5-6(2)9)8(10,11)12/h3,7,12H,1-2,4-5H2.
What are the key properties of 1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol?
1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol has a molecular weight of 180.17 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol is sourced from PubChem (CID 58693356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).