1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol

C10H5ClF6O — CID 154102426

IUPAC1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol
SMILESOC1(c2ccc(Cl)cc2)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H5ClF6O/c11-6-3-1-5(2-4-6)7(18)8(12,13)10(16,17)9(7,14)15/h1-4,18H
InChIKeyNVGALBHWWCEZIQ-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.45
Rot. Bonds1

About 1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol

1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol (PubChem CID 154102426) has the molecular formula C10H5ClF6O and a molecular weight of 290.59 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol
PubChem CID154102426
Molecular FormulaC10H5ClF6O
Molecular Weight290.59 g/mol
Exact Mass289.99
IUPAC Name1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol
SMILESOC1(c2ccc(Cl)cc2)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H5ClF6O/c11-6-3-1-5(2-4-6)7(18)8(12,13)10(16,17)9(7,14)15/h1-4,18H
InChIKeyNVGALBHWWCEZIQ-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol
CID 15702483
3-(4-chlorophenyl)-3-hydroxyazetidin-2-one
CID 169291636
azane;1,4-dichlorobenzene
CID 69330361
2-(4-chlorophenyl)-1,3-dihydroinden-2-ol
CID 60864070
1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride
CID 20724884
1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol
CID 107993183
[1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate
CID 57130351
1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene
CID 70230113
[(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate
CID 88629041
(3S)-3-(4-chlorophenyl)pyrrolidin-3-ol
CID 92967135
1-(4-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine
CID 105490325
1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene
CID 91148792

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol (CID 154102426) is 1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol is OC1(c2ccc(Cl)cc2)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol?
The InChIKey is NVGALBHWWCEZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF6O/c11-6-3-1-5(2-4-6)7(18)8(12,13)10(16,17)9(7,14)15/h1-4,18H.
What are the key properties of 1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol?
1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol has a molecular weight of 290.59 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2,3,3,4,4-hexafluorocyclobutan-1-ol is sourced from PubChem (CID 154102426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).