(Z)-1,1,1-trifluorohept-5-en-2-one

C7H9F3O — CID 145337030

IUPAC(Z)-1,1,1-trifluorohept-5-en-2-one
SMILESC/C=C\CCC(=O)C(F)(F)F
InChIInChI=1S/C7H9F3O/c1-2-3-4-5-6(11)7(8,9)10/h2-3H,4-5H2,1H3/b3-2-
InChIKeyBEKOPOIXRKMAGI-IHWYPQMZSA-N
MW166.14 g/mol
LogP2.47
Rot. Bonds3

About (Z)-1,1,1-trifluorohept-5-en-2-one

(Z)-1,1,1-trifluorohept-5-en-2-one (PubChem CID 145337030) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is (Z)-1,1,1-trifluorohept-5-en-2-one.

Molecular Properties

Compound Name(Z)-1,1,1-trifluorohept-5-en-2-one
PubChem CID145337030
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name(Z)-1,1,1-trifluorohept-5-en-2-one
SMILESC/C=C\CCC(=O)C(F)(F)F
InChIInChI=1S/C7H9F3O/c1-2-3-4-5-6(11)7(8,9)10/h2-3H,4-5H2,1H3/b3-2-
InChIKeyBEKOPOIXRKMAGI-IHWYPQMZSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 52.47
H-Bond Donors ≤ 50
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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[(E)-hex-4-enyl] 2,2,2-trifluoroacetate
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hex-4-enethioic S-acid
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copper;1,1,1,5,5,5-hexafluoropentane-2,4-dione
CID 15360935
N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
CID 14120807
tert-butyl hex-4-enoate
CID 86102608
5,5,5-trifluoro-4-oxopentanoic acid
CID 20543330
(Z,2E)-2-ethylidenehept-5-enoic acid
CID 101190230
1,1,1-trifluoro-4-methoxybutan-2-one
CID 62962965
3-methylocta-2,6-dien-1-ol
CID 57183202
non-7-en-4-one
CID 57110919

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluorohept-5-en-2-one?
The IUPAC name of (Z)-1,1,1-trifluorohept-5-en-2-one (CID 145337030) is (Z)-1,1,1-trifluorohept-5-en-2-one.
What is the SMILES notation for (Z)-1,1,1-trifluorohept-5-en-2-one?
The canonical SMILES for (Z)-1,1,1-trifluorohept-5-en-2-one is C/C=C\CCC(=O)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluorohept-5-en-2-one?
The InChIKey is BEKOPOIXRKMAGI-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H9F3O/c1-2-3-4-5-6(11)7(8,9)10/h2-3H,4-5H2,1H3/b3-2-.
What are the key properties of (Z)-1,1,1-trifluorohept-5-en-2-one?
(Z)-1,1,1-trifluorohept-5-en-2-one has a molecular weight of 166.14 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluorohept-5-en-2-one is sourced from PubChem (CID 145337030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).