5-fluoro-5-iodo-4,4-dimethylhex-1-ene

C8H14FI — CID 166107161

IUPAC5-fluoro-5-iodo-4,4-dimethylhex-1-ene
SMILESC=CCC(C)(C)C(C)(F)I
InChIInChI=1S/C8H14FI/c1-5-6-7(2,3)8(4,9)10/h5H,1,6H2,2-4H3
InChIKeyBXRFAAVOXNHYSI-UHFFFAOYSA-N
MW256.10 g/mol
LogP3.71
Rot. Bonds3

About 5-fluoro-5-iodo-4,4-dimethylhex-1-ene

5-fluoro-5-iodo-4,4-dimethylhex-1-ene (PubChem CID 166107161) has the molecular formula C8H14FI and a molecular weight of 256.10 g/mol. Its IUPAC name is 5-fluoro-5-iodo-4,4-dimethylhex-1-ene.

Molecular Properties

Compound Name5-fluoro-5-iodo-4,4-dimethylhex-1-ene
PubChem CID166107161
Molecular FormulaC8H14FI
Molecular Weight256.10 g/mol
Exact Mass256.01
IUPAC Name5-fluoro-5-iodo-4,4-dimethylhex-1-ene
SMILESC=CCC(C)(C)C(C)(F)I
InChIInChI=1S/C8H14FI/c1-5-6-7(2,3)8(4,9)10/h5H,1,6H2,2-4H3
InChIKeyBXRFAAVOXNHYSI-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,5,5,5-tetrafluoro-4-methylpent-1-ene
CID 58901177
(2R)-2-fluoro-2-methylpent-4-en-1-ol
CID 57283986
azane;4,4,4-trifluorobut-1-ene
CID 166791740
methane;4,4,4-trifluorobut-1-ene
CID 157244358
(3R)-3-(2-methoxyethyl)-3,4,4-trimethylhepta-1,6-diene
CID 90307120
3,3-difluorohexa-1,5-diene
CID 90930184
4-chloro-4-methylpent-1-ene
CID 14174361
(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
CID 92533073
lithium 4-methanidyl-4-methylpent-1-ene
CID 134840187
4-chloro-4-methylpent-1-ene;silane
CID 174547745
N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine
CID 171560888
3-methylhexa-1,5-diene-3-thiol
CID 123943954

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-iodo-4,4-dimethylhex-1-ene?
The IUPAC name of 5-fluoro-5-iodo-4,4-dimethylhex-1-ene (CID 166107161) is 5-fluoro-5-iodo-4,4-dimethylhex-1-ene.
What is the SMILES notation for 5-fluoro-5-iodo-4,4-dimethylhex-1-ene?
The canonical SMILES for 5-fluoro-5-iodo-4,4-dimethylhex-1-ene is C=CCC(C)(C)C(C)(F)I.
What is the InChIKey of 5-fluoro-5-iodo-4,4-dimethylhex-1-ene?
The InChIKey is BXRFAAVOXNHYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FI/c1-5-6-7(2,3)8(4,9)10/h5H,1,6H2,2-4H3.
What are the key properties of 5-fluoro-5-iodo-4,4-dimethylhex-1-ene?
5-fluoro-5-iodo-4,4-dimethylhex-1-ene has a molecular weight of 256.10 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-iodo-4,4-dimethylhex-1-ene is sourced from PubChem (CID 166107161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).