4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol

C17H10Cl2F6O2 — CID 15702464

IUPAC4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)C(F)(F)C(F)(F)C(F)(F)C2(Cl)Cl)cc1
InChIInChI=1S/C17H10Cl2F6O2/c18-14(19)13(9-1-5-11(26)6-2-9,10-3-7-12(27)8-4-10)15(20,21)17(24,25)16(14,22)23/h1-8,26-27H
InChIKeyUSUYYDMROWADLJ-UHFFFAOYSA-N
MW431.16 g/mol
LogP5.48
Rot. Bonds2

About 4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol

4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol (PubChem CID 15702464) has the molecular formula C17H10Cl2F6O2 and a molecular weight of 431.16 g/mol. Its IUPAC name is 4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol.

Molecular Properties

Compound Name4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol
PubChem CID15702464
Molecular FormulaC17H10Cl2F6O2
Molecular Weight431.16 g/mol
Exact Mass430.00
IUPAC Name4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)C(F)(F)C(F)(F)C(F)(F)C2(Cl)Cl)cc1
InChIInChI=1S/C17H10Cl2F6O2/c18-14(19)13(9-1-5-11(26)6-2-9,10-3-7-12(27)8-4-10)15(20,21)17(24,25)16(14,22)23/h1-8,26-27H
InChIKeyUSUYYDMROWADLJ-UHFFFAOYSA-N
XLogP5.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.16
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-chlorocyclopentyl)phenol
CID 174776668
carbanide;4-[1-(4-hydroxyphenyl)-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexyl]phenol;tetrakis(rutherfordium)
CID 161112043
argon;benzene-1,4-diol
CID 71441175
CID 158795306
CID 158795306
benzene-1,4-diol;hydron
CID 137356428
4-(1-aminocyclopent-3-en-1-yl)phenol
CID 115063014
1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol
CID 154102426
4-(1-ethyl-2,2-difluorocyclopropyl)phenol
CID 151298334
ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464
4-[1-(difluoromethyl)cyclopropyl]phenol
CID 84718814
disodium;benzene-1,4-diol;hydride
CID 173178650
calcium;benzene-1,4-diol;hydride
CID 173044185

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol?
The IUPAC name of 4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol (CID 15702464) is 4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol.
What is the SMILES notation for 4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol?
The canonical SMILES for 4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol is Oc1ccc(C2(c3ccc(O)cc3)C(F)(F)C(F)(F)C(F)(F)C2(Cl)Cl)cc1.
What is the InChIKey of 4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol?
The InChIKey is USUYYDMROWADLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F6O2/c18-14(19)13(9-1-5-11(26)6-2-9,10-3-7-12(27)8-4-10)15(20,21)17(24,25)16(14,22)23/h1-8,26-27H.
What are the key properties of 4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol?
4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol has a molecular weight of 431.16 g/mol, XLogP of 5.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol is sourced from PubChem (CID 15702464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).