1,6-dichloro-2-fluorohex-1-ene

C6H9Cl2F — CID 148546349

IUPAC1,6-dichloro-2-fluorohex-1-ene
SMILESFC(=CCl)CCCCCl
InChIInChI=1S/C6H9Cl2F/c7-4-2-1-3-6(9)5-8/h5H,1-4H2
InChIKeyBJHKCLAGIGKEAH-UHFFFAOYSA-N
MW171.04 g/mol
LogP3.45
Rot. Bonds4

About 1,6-dichloro-2-fluorohex-1-ene

1,6-dichloro-2-fluorohex-1-ene (PubChem CID 148546349) has the molecular formula C6H9Cl2F and a molecular weight of 171.04 g/mol. Its IUPAC name is 1,6-dichloro-2-fluorohex-1-ene.

Molecular Properties

Compound Name1,6-dichloro-2-fluorohex-1-ene
PubChem CID148546349
Molecular FormulaC6H9Cl2F
Molecular Weight171.04 g/mol
Exact Mass170.01
IUPAC Name1,6-dichloro-2-fluorohex-1-ene
SMILESFC(=CCl)CCCCCl
InChIInChI=1S/C6H9Cl2F/c7-4-2-1-3-6(9)5-8/h5H,1-4H2
InChIKeyBJHKCLAGIGKEAH-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.04
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichlorohex-1-ene
CID 13050386
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CID 175201480
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CID 57067675
30-chloro-N-hydroxytriacontanamide
CID 87686920
14-chloro-N-hydroxytetradecanamide
CID 87682446
33-chloro-N-hydroxytritriacontanamide
CID 87686869
1,11-dichloroundecane-5,7-dione
CID 154391115
7-chloroheptanoic acid
CID 13188
6-chlorohexanoyl(trifluoro)boranuide
CID 131801554
8-chloro-2-methyloct-1-ene
CID 24721692
12-chlorododecan-2-one
CID 162396741
5-chloro-N-cyclooctylpentanamide
CID 28733608

Frequently Asked Questions

What is the IUPAC name of 1,6-dichloro-2-fluorohex-1-ene?
The IUPAC name of 1,6-dichloro-2-fluorohex-1-ene (CID 148546349) is 1,6-dichloro-2-fluorohex-1-ene.
What is the SMILES notation for 1,6-dichloro-2-fluorohex-1-ene?
The canonical SMILES for 1,6-dichloro-2-fluorohex-1-ene is FC(=CCl)CCCCCl.
What is the InChIKey of 1,6-dichloro-2-fluorohex-1-ene?
The InChIKey is BJHKCLAGIGKEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2F/c7-4-2-1-3-6(9)5-8/h5H,1-4H2.
What are the key properties of 1,6-dichloro-2-fluorohex-1-ene?
1,6-dichloro-2-fluorohex-1-ene has a molecular weight of 171.04 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dichloro-2-fluorohex-1-ene is sourced from PubChem (CID 148546349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).