(E)-5,5,5-trifluoropent-3-en-1-ol

C5H7F3O — CID 20543344

IUPAC(E)-5,5,5-trifluoropent-3-en-1-ol
SMILESOCC/C=C/C(F)(F)F
InChIInChI=1S/C5H7F3O/c6-5(7,8)3-1-2-4-9/h1,3,9H,2,4H2/b3-1+
InChIKeyXJHYFJVQOSKNJO-HNQUOIGGSA-N
MW140.10 g/mol
LogP1.49
Rot. Bonds2

About (E)-5,5,5-trifluoropent-3-en-1-ol

(E)-5,5,5-trifluoropent-3-en-1-ol (PubChem CID 20543344) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is (E)-5,5,5-trifluoropent-3-en-1-ol.

Molecular Properties

Compound Name(E)-5,5,5-trifluoropent-3-en-1-ol
PubChem CID20543344
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name(E)-5,5,5-trifluoropent-3-en-1-ol
SMILESOCC/C=C/C(F)(F)F
InChIInChI=1S/C5H7F3O/c6-5(7,8)3-1-2-4-9/h1,3,9H,2,4H2/b3-1+
InChIKeyXJHYFJVQOSKNJO-HNQUOIGGSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 51.49
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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2-[(E)-4,4,4-trifluorobut-2-enyl]propanedioic acid
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6,6,6-trifluorohex-4-enyl prop-2-enoate
CID 175221470
(E)-4-iodobut-3-en-1-ol
CID 10821775
(Z)-5-pentyldec-3-ene-1,5-diol
CID 134895929
ethyl 8,8,8-trifluorooct-6-enoate
CID 162537305
(Z)-1,1,1-trifluoro-5-methylhex-2-ene
CID 176664146
(Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol
CID 118168632
(E)-1,1,1-trifluoro-4-propylsulfanylbut-2-ene
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4,4,4-trifluorobut-2-enyl hydrogen carbonate
CID 90256502

Frequently Asked Questions

What is the IUPAC name of (E)-5,5,5-trifluoropent-3-en-1-ol?
The IUPAC name of (E)-5,5,5-trifluoropent-3-en-1-ol (CID 20543344) is (E)-5,5,5-trifluoropent-3-en-1-ol.
What is the SMILES notation for (E)-5,5,5-trifluoropent-3-en-1-ol?
The canonical SMILES for (E)-5,5,5-trifluoropent-3-en-1-ol is OCC/C=C/C(F)(F)F.
What is the InChIKey of (E)-5,5,5-trifluoropent-3-en-1-ol?
The InChIKey is XJHYFJVQOSKNJO-HNQUOIGGSA-N. The full InChI is InChI=1S/C5H7F3O/c6-5(7,8)3-1-2-4-9/h1,3,9H,2,4H2/b3-1+.
What are the key properties of (E)-5,5,5-trifluoropent-3-en-1-ol?
(E)-5,5,5-trifluoropent-3-en-1-ol has a molecular weight of 140.10 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,5-trifluoropent-3-en-1-ol is sourced from PubChem (CID 20543344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).