4-bromo-2-(trifluoromethyl)pent-1-ene

C6H8BrF3 — CID 152936675

IUPAC4-bromo-2-(trifluoromethyl)pent-1-ene
SMILESC=C(CC(C)Br)C(F)(F)F
InChIInChI=1S/C6H8BrF3/c1-4(3-5(2)7)6(8,9)10/h5H,1,3H2,2H3
InChIKeyULZMPCIAIFOSRD-UHFFFAOYSA-N
MW217.03 g/mol
LogP3.28
Rot. Bonds2

About 4-bromo-2-(trifluoromethyl)pent-1-ene

4-bromo-2-(trifluoromethyl)pent-1-ene (PubChem CID 152936675) has the molecular formula C6H8BrF3 and a molecular weight of 217.03 g/mol. Its IUPAC name is 4-bromo-2-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name4-bromo-2-(trifluoromethyl)pent-1-ene
PubChem CID152936675
Molecular FormulaC6H8BrF3
Molecular Weight217.03 g/mol
Exact Mass215.98
IUPAC Name4-bromo-2-(trifluoromethyl)pent-1-ene
SMILESC=C(CC(C)Br)C(F)(F)F
InChIInChI=1S/C6H8BrF3/c1-4(3-5(2)7)6(8,9)10/h5H,1,3H2,2H3
InChIKeyULZMPCIAIFOSRD-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.03
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene
CID 20793151
1-chloro-4-(trifluoromethyl)pent-4-en-2-ol
CID 130564678
5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene
CID 137451352
1,1,1-trifluoro-4-methylpent-4-en-2-ol
CID 79177366
4,5,5,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene
CID 58936765
3-fluoro-2,3-dimethyl-4-methylidenehexane
CID 143721817
2-(bromomethyl)-3,3,3-trifluoroprop-1-ene;methyl acetate
CID 75529888
(Z)-3-chloro-1,1,1,2-tetrafluoro-5-methylhept-2-ene
CID 142059049
(2R)-2-bromopropan-1-ol
CID 12579096
2-bromo-1-chloropropane
CID 18175
2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
CID 157176532
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(trifluoromethyl)pent-1-ene?
The IUPAC name of 4-bromo-2-(trifluoromethyl)pent-1-ene (CID 152936675) is 4-bromo-2-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 4-bromo-2-(trifluoromethyl)pent-1-ene?
The canonical SMILES for 4-bromo-2-(trifluoromethyl)pent-1-ene is C=C(CC(C)Br)C(F)(F)F.
What is the InChIKey of 4-bromo-2-(trifluoromethyl)pent-1-ene?
The InChIKey is ULZMPCIAIFOSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrF3/c1-4(3-5(2)7)6(8,9)10/h5H,1,3H2,2H3.
What are the key properties of 4-bromo-2-(trifluoromethyl)pent-1-ene?
4-bromo-2-(trifluoromethyl)pent-1-ene has a molecular weight of 217.03 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 152936675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).