2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene]

C22H21Cl — CID 176825160

IUPAC2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene]
SMILES[2H]C12CC3CC(C1)CC([2H])(C3)C21c2ccccc2-c2ccc(Cl)cc21
InChIInChI=1S/C22H21Cl/c23-17-5-6-19-18-3-1-2-4-20(18)22(21(19)12-17)15-8-13-7-14(10-15)11-16(22)9-13/h1-6,12-16H,7-11H2/i15D,16D
InChIKeyNUTKDUFQKCXMCH-RAHXUVGXSA-N
MW322.88 g/mol
LogP6.06
Rot. Bonds

About 2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene]

2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene] (PubChem CID 176825160) has the molecular formula C22H21Cl and a molecular weight of 322.88 g/mol. Its IUPAC name is 2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene].

Molecular Properties

Compound Name2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene]
PubChem CID176825160
Molecular FormulaC22H21Cl
Molecular Weight322.88 g/mol
Exact Mass322.15
IUPAC Name2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene]
SMILES[2H]C12CC3CC(C1)CC([2H])(C3)C21c2ccccc2-c2ccc(Cl)cc21
InChIInChI=1S/C22H21Cl/c23-17-5-6-19-18-3-1-2-4-20(18)22(21(19)12-17)15-8-13-7-14(10-15)11-16(22)9-13/h1-6,12-16H,7-11H2/i15D,16D
InChIKeyNUTKDUFQKCXMCH-RAHXUVGXSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.88
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chlorospiro[fluorene-9,7'-tricyclo[4.3.1.03,8]decane]
CID 156577036
2-(1,3-dideuteriospiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176825081
2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]
CID 169099363
9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole
CID 156578319
CID 102192841
CID 102192841
2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]
CID 168798512
3-chloro-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophene
CID 168803759
2-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 168803912
3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 156573187
1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene
CID 168803766
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038

Frequently Asked Questions

What is the IUPAC name of 2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene]?
The IUPAC name of 2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene] (CID 176825160) is 2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene].
What is the SMILES notation for 2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene]?
The canonical SMILES for 2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene] is [2H]C12CC3CC(C1)CC([2H])(C3)C21c2ccccc2-c2ccc(Cl)cc21.
What is the InChIKey of 2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene]?
The InChIKey is NUTKDUFQKCXMCH-RAHXUVGXSA-N. The full InChI is InChI=1S/C22H21Cl/c23-17-5-6-19-18-3-1-2-4-20(18)22(21(19)12-17)15-8-13-7-14(10-15)11-16(22)9-13/h1-6,12-16H,7-11H2/i15D,16D.
What are the key properties of 2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene]?
2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene] has a molecular weight of 322.88 g/mol, XLogP of 6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene] is sourced from PubChem (CID 176825160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).