5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene]

C14H13BrF2 — CID 90866317

IUPAC5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene]
SMILESFC1(F)CCC2(C=c3ccc(Br)cc3=C2)CC1
InChIInChI=1S/C14H13BrF2/c15-12-2-1-10-8-13(9-11(10)7-12)3-5-14(16,17)6-4-13/h1-2,7-9H,3-6H2
InChIKeyKTNONAULQQMOFD-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.22
Rot. Bonds

About 5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene]

5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene] (PubChem CID 90866317) has the molecular formula C14H13BrF2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene].

Molecular Properties

Compound Name5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene]
PubChem CID90866317
Molecular FormulaC14H13BrF2
Molecular Weight299.16 g/mol
Exact Mass298.02
IUPAC Name5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene]
SMILESFC1(F)CCC2(C=c3ccc(Br)cc3=C2)CC1
InChIInChI=1S/C14H13BrF2/c15-12-2-1-10-8-13(9-11(10)7-12)3-5-14(16,17)6-4-13/h1-2,7-9H,3-6H2
InChIKeyKTNONAULQQMOFD-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(7R)-5'-bromospiro[cyclohept-3-ene-7,2'-indene]-1-one
CID 87059584
1-(2-amino-5-bromophenyl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 106702453
(6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine
CID 123340415
1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol
CID 170785516
(5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 105167450
5-bromo-2-(4,4-difluoropiperidin-1-yl)benzonitrile
CID 86811090
CID 58197015
CID 58197015
1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine
CID 115051018
1-bromo-3-[(4,4-difluorocyclohexylidene)methyl]benzene
CID 121281160
5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole
CID 118338608
2-(5-bromo-2-fluorophenyl)-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 176516464
7-bromo-2-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 177042754

Frequently Asked Questions

What is the IUPAC name of 5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene]?
The IUPAC name of 5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene] (CID 90866317) is 5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene].
What is the SMILES notation for 5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene]?
The canonical SMILES for 5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene] is FC1(F)CCC2(C=c3ccc(Br)cc3=C2)CC1.
What is the InChIKey of 5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene]?
The InChIKey is KTNONAULQQMOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2/c15-12-2-1-10-8-13(9-11(10)7-12)3-5-14(16,17)6-4-13/h1-2,7-9H,3-6H2.
What are the key properties of 5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene]?
5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene] has a molecular weight of 299.16 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromo-4,4-difluorospiro[cyclohexane-1,2'-indene] is sourced from PubChem (CID 90866317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).