1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane

C6H4Cl7F — CID 118578864

IUPAC1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane
SMILESFC1(Cl)C(Cl)C(Cl)C(Cl)(Cl)C(Cl)C1Cl
InChIInChI=1S/C6H4Cl7F/c7-1-3(9)6(13,14)4(10)2(8)5(1,11)12/h1-4H
InChIKeyPYONQADORACFBS-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.51
Rot. Bonds

About 1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane

1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane (PubChem CID 118578864) has the molecular formula C6H4Cl7F and a molecular weight of 343.27 g/mol. Its IUPAC name is 1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane.

Molecular Properties

Compound Name1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane
PubChem CID118578864
Molecular FormulaC6H4Cl7F
Molecular Weight343.27 g/mol
Exact Mass339.81
IUPAC Name1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane
SMILESFC1(Cl)C(Cl)C(Cl)C(Cl)(Cl)C(Cl)C1Cl
InChIInChI=1S/C6H4Cl7F/c7-1-3(9)6(13,14)4(10)2(8)5(1,11)12/h1-4H
InChIKeyPYONQADORACFBS-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,5,6-hexachloro-1-fluorocyclohexane
CID 119098816
cis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane
CID 134985738
cis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane
CID 96565592
(1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane
CID 97289325
1-chloro-1,2,2,3,3-pentafluorocyclopropane
CID 23233207
1-chloro-1,2-difluorocyclopropane
CID 69232639
cis-(1R,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane
CID 23233710
cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine
CID 72943153
trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane
CID 98117627
cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride
CID 72943152
5,6-dichloro-3-fluoro-1,3,5-trimethylcyclohexene
CID 175199470
2,2,3-trichlorothiirane
CID 21444435

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane?
The IUPAC name of 1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane (CID 118578864) is 1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane.
What is the SMILES notation for 1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane?
The canonical SMILES for 1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane is FC1(Cl)C(Cl)C(Cl)C(Cl)(Cl)C(Cl)C1Cl.
What is the InChIKey of 1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane?
The InChIKey is PYONQADORACFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl7F/c7-1-3(9)6(13,14)4(10)2(8)5(1,11)12/h1-4H.
What are the key properties of 1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane?
1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane has a molecular weight of 343.27 g/mol, XLogP of 4.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane is sourced from PubChem (CID 118578864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).