(3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one

C10H12BrF3O — CID 10934991

IUPAC(3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one
SMILESCCCC/C=C(Br)/C=C/C(=O)C(F)(F)F
InChIInChI=1S/C10H12BrF3O/c1-2-3-4-5-8(11)6-7-9(15)10(12,13)14/h5-7H,2-4H2,1H3/b7-6+,8-5-
InChIKeyALOQDRNPTZEGOJ-NGWHPUCNSA-N
MW285.10 g/mol
LogP4.14
Rot. Bonds5

About (3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one

(3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one (PubChem CID 10934991) has the molecular formula C10H12BrF3O and a molecular weight of 285.10 g/mol. Its IUPAC name is (3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one.

Molecular Properties

Compound Name(3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one
PubChem CID10934991
Molecular FormulaC10H12BrF3O
Molecular Weight285.10 g/mol
Exact Mass284.00
IUPAC Name(3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one
SMILESCCCC/C=C(Br)/C=C/C(=O)C(F)(F)F
InChIInChI=1S/C10H12BrF3O/c1-2-3-4-5-8(11)6-7-9(15)10(12,13)14/h5-7H,2-4H2,1H3/b7-6+,8-5-
InChIKeyALOQDRNPTZEGOJ-NGWHPUCNSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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[(E)-1,1,1-trifluorododec-2-en-2-yl] acetate
CID 11369498
[(E)-1,1,1-trifluorodec-2-en-2-yl] acetate
CID 177488051
(Z)-3-methylnon-3-en-2-one
CID 98567788
(E)-2,2,4-trimethylnon-4-en-3-one
CID 24828917
(Z)-2-bromohept-2-en-1-imine
CID 166655516
S-hexyl 2,2,2-trifluoroethanethioate
CID 15212559
[(1E,3E)-3-bromonona-1,3-dienyl]benzene
CID 135039609
3-methyl-2-pentylideneoctanoic acid
CID 152706182
1,1-dibromotridec-1-ene
CID 14681915

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one?
The IUPAC name of (3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one (CID 10934991) is (3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one.
What is the SMILES notation for (3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one?
The canonical SMILES for (3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one is CCCC/C=C(Br)/C=C/C(=O)C(F)(F)F.
What is the InChIKey of (3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one?
The InChIKey is ALOQDRNPTZEGOJ-NGWHPUCNSA-N. The full InChI is InChI=1S/C10H12BrF3O/c1-2-3-4-5-8(11)6-7-9(15)10(12,13)14/h5-7H,2-4H2,1H3/b7-6+,8-5-.
What are the key properties of (3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one?
(3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one has a molecular weight of 285.10 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one is sourced from PubChem (CID 10934991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).