(2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene

C9H6Cl2F4 — CID 14687264

IUPAC(2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene
SMILESFC(c1ccccc1)C(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C9H6Cl2F4/c10-8(11,9(13,14)15)7(12)6-4-2-1-3-5-6/h1-5,7H
InChIKeyXZDKBFQKQIPUAQ-UHFFFAOYSA-N
MW261.05 g/mol
LogP4.43
Rot. Bonds2

About (2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene

(2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene (PubChem CID 14687264) has the molecular formula C9H6Cl2F4 and a molecular weight of 261.05 g/mol. Its IUPAC name is (2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene.

Molecular Properties

Compound Name(2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene
PubChem CID14687264
Molecular FormulaC9H6Cl2F4
Molecular Weight261.05 g/mol
Exact Mass259.98
IUPAC Name(2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene
SMILESFC(c1ccccc1)C(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C9H6Cl2F4/c10-8(11,9(13,14)15)7(12)6-4-2-1-3-5-6/h1-5,7H
InChIKeyXZDKBFQKQIPUAQ-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.05
LogP ≤ 54.43
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

(1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene
CID 139245434
(2-bromo-1-fluoro-2-methylpropyl)benzene
CID 15668390
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CID 54168941
(2,2-dichloro-1-diphenylphosphoryloxy-3,3,3-trifluoropropyl)benzene
CID 4227058
(1-chloro-2,2,3,3-tetrafluoropropyl)benzene
CID 79659838
[fluoro(fluoro)methyl]benzene
CID 146164458
(2R,3R)-2,3-difluoro-2-methyl-3-phenylpropanamide
CID 155931604
1,2,2,3,3,4,4,5,5,6,7,8,9,10,11,12,12-heptadecafluorododecylbenzene
CID 23120854
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
(1,2-dichloro-1,2-difluoro-2-phenylethyl)benzene
CID 15026496
2-phenyl-3-(trifluoromethyl)but-3-en-1-ol
CID 101388260
[(1S,2S)-1-chloro-3,3,3-trifluoro-2-methylpropyl]benzene
CID 129384644

Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene?
The IUPAC name of (2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene (CID 14687264) is (2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene.
What is the SMILES notation for (2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene?
The canonical SMILES for (2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene is FC(c1ccccc1)C(Cl)(Cl)C(F)(F)F.
What is the InChIKey of (2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene?
The InChIKey is XZDKBFQKQIPUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F4/c10-8(11,9(13,14)15)7(12)6-4-2-1-3-5-6/h1-5,7H.
What are the key properties of (2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene?
(2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene has a molecular weight of 261.05 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene is sourced from PubChem (CID 14687264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).