1-chloro-8,8,8-trifluoro-4-methyloct-3-ene

C9H14ClF3 — CID 115519676

IUPAC1-chloro-8,8,8-trifluoro-4-methyloct-3-ene
SMILESCC(=CCCCl)CCCC(F)(F)F
InChIInChI=1S/C9H14ClF3/c1-8(5-3-7-10)4-2-6-9(11,12)13/h5H,2-4,6-7H2,1H3
InChIKeyODVVDXOCQIZMFJ-UHFFFAOYSA-N
MW214.66 g/mol
LogP4.29
Rot. Bonds5

About 1-chloro-8,8,8-trifluoro-4-methyloct-3-ene

1-chloro-8,8,8-trifluoro-4-methyloct-3-ene (PubChem CID 115519676) has the molecular formula C9H14ClF3 and a molecular weight of 214.66 g/mol. Its IUPAC name is 1-chloro-8,8,8-trifluoro-4-methyloct-3-ene.

Molecular Properties

Compound Name1-chloro-8,8,8-trifluoro-4-methyloct-3-ene
PubChem CID115519676
Molecular FormulaC9H14ClF3
Molecular Weight214.66 g/mol
Exact Mass214.07
IUPAC Name1-chloro-8,8,8-trifluoro-4-methyloct-3-ene
SMILESCC(=CCCCl)CCCC(F)(F)F
InChIInChI=1S/C9H14ClF3/c1-8(5-3-7-10)4-2-6-9(11,12)13/h5H,2-4,6-7H2,1H3
InChIKeyODVVDXOCQIZMFJ-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 54.29
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

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CID 83163373
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CID 118038499
(E)-5-chloro-2-methylpent-2-en-1-ol
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(Z)-6-chloro-3-methylhex-2-en-1-ol
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(5-chloro-2-methylpent-2-enyl)cyclopropane
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(Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one
CID 14537577
(E)-6,6,6-trifluoro-3-methylhex-2-ene
CID 153363460
1-chloro-4,6-dimethylhept-3-ene
CID 79603963
(E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene
CID 140695976
6-chloro-1,1,1-trifluorohexane
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CID 90238479

Frequently Asked Questions

What is the IUPAC name of 1-chloro-8,8,8-trifluoro-4-methyloct-3-ene?
The IUPAC name of 1-chloro-8,8,8-trifluoro-4-methyloct-3-ene (CID 115519676) is 1-chloro-8,8,8-trifluoro-4-methyloct-3-ene.
What is the SMILES notation for 1-chloro-8,8,8-trifluoro-4-methyloct-3-ene?
The canonical SMILES for 1-chloro-8,8,8-trifluoro-4-methyloct-3-ene is CC(=CCCCl)CCCC(F)(F)F.
What is the InChIKey of 1-chloro-8,8,8-trifluoro-4-methyloct-3-ene?
The InChIKey is ODVVDXOCQIZMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF3/c1-8(5-3-7-10)4-2-6-9(11,12)13/h5H,2-4,6-7H2,1H3.
What are the key properties of 1-chloro-8,8,8-trifluoro-4-methyloct-3-ene?
1-chloro-8,8,8-trifluoro-4-methyloct-3-ene has a molecular weight of 214.66 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8,8,8-trifluoro-4-methyloct-3-ene is sourced from PubChem (CID 115519676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).