1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol

C11H5BrF8O — CID 15702483

IUPAC1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol
SMILESOC1(c2ccc(Br)cc2)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H5BrF8O/c12-6-3-1-5(2-4-6)7(21)8(13,14)10(17,18)11(19,20)9(7,15)16/h1-4,21H
InChIKeyKKRVIKGHUDDDGL-UHFFFAOYSA-N
MW385.05 g/mol
LogP4.19
Rot. Bonds1

About 1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol

1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol (PubChem CID 15702483) has the molecular formula C11H5BrF8O and a molecular weight of 385.05 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol
PubChem CID15702483
Molecular FormulaC11H5BrF8O
Molecular Weight385.05 g/mol
Exact Mass383.94
IUPAC Name1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol
SMILESOC1(c2ccc(Br)cc2)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H5BrF8O/c12-6-3-1-5(2-4-6)7(21)8(13,14)10(17,18)11(19,20)9(7,15)16/h1-4,21H
InChIKeyKKRVIKGHUDDDGL-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.05
LogP ≤ 54.19
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-difluorocyclopropan-1-amine
CID 155978441
[3-(4-bromophenyl)-2,2-difluoro-1-bicyclo[1.1.1]pentanyl]methanol
CID 155893137
3-(4-bromophenyl)azetidin-3-ol;hydrochloride
CID 122164542
azane;1,4-dibromobenzene
CID 175259215
1-[(3-bromo-4-fluorophenyl)methyl]-4-(4-bromophenyl)piperidin-1-ium-4-ol
CID 6983277
(3R)-3-(4-bromophenyl)thiolan-3-ol
CID 125041399
2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxole
CID 141371872
1-(4-bromophenyl)cyclopropane-1-carbonyl chloride
CID 86811283
ethyl 1-(4-bromophenyl)-2,2-difluorocyclopropane-1-carboxylate
CID 167107798
3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol
CID 126838899
(1S,2S,3S)-2-(4-bromophenyl)-1-fluoro-2-methyl-3-phenylcyclopropane-1-carboxylic acid
CID 118237229
3-[4-(4-bromophenyl)piperazin-1-yl]-2,2,4,4-tetramethyl-1-phenylcyclobutan-1-ol
CID 54100341

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol (CID 15702483) is 1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol is OC1(c2ccc(Br)cc2)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol?
The InChIKey is KKRVIKGHUDDDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF8O/c12-6-3-1-5(2-4-6)7(21)8(13,14)10(17,18)11(19,20)9(7,15)16/h1-4,21H.
What are the key properties of 1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol?
1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol has a molecular weight of 385.05 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol is sourced from PubChem (CID 15702483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).