2'-fluorospiro[benzo[f]chromene-3,9'-fluorene]

C25H15FO — CID 100954914

IUPAC2'-fluorospiro[benzo[f]chromene-3,9'-fluorene]
SMILESFc1ccc2c(c1)C1(C=Cc3c(ccc4ccccc34)O1)c1ccccc1-2
InChIInChI=1S/C25H15FO/c26-17-10-11-20-19-7-3-4-8-22(19)25(23(20)15-17)14-13-21-18-6-2-1-5-16(18)9-12-24(21)27-25/h1-15H
InChIKeySUIDXWYPLHCDAH-UHFFFAOYSA-N
MW350.39 g/mol
LogP6.31
Rot. Bonds

About 2'-fluorospiro[benzo[f]chromene-3,9'-fluorene]

2'-fluorospiro[benzo[f]chromene-3,9'-fluorene] (PubChem CID 100954914) has the molecular formula C25H15FO and a molecular weight of 350.39 g/mol. Its IUPAC name is 2'-fluorospiro[benzo[f]chromene-3,9'-fluorene].

Molecular Properties

Compound Name2'-fluorospiro[benzo[f]chromene-3,9'-fluorene]
PubChem CID100954914
Molecular FormulaC25H15FO
Molecular Weight350.39 g/mol
Exact Mass350.11
IUPAC Name2'-fluorospiro[benzo[f]chromene-3,9'-fluorene]
SMILESFc1ccc2c(c1)C1(C=Cc3c(ccc4ccccc34)O1)c1ccccc1-2
InChIInChI=1S/C25H15FO/c26-17-10-11-20-19-7-3-4-8-22(19)25(23(20)15-17)14-13-21-18-6-2-1-5-16(18)9-12-24(21)27-25/h1-15H
InChIKeySUIDXWYPLHCDAH-UHFFFAOYSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.39
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]
CID 22084982
spiro[benzo[f]chromene-3,9'-fluorene]-8-yl trifluoromethanesulfonate
CID 101359754
3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 3104875
3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene
CID 71346281
3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
CID 19083923
[5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine
CID 174396690
4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine
CID 18714042
3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 18916131
3-methyl-3-phenylbenzo[f]chromene
CID 10849806
CID 10527161
CID 10527161
(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
CID 102063385
4-[3-fluoro-4-(3-thiophen-2-ylbenzo[f]chromen-3-yl)phenyl]morpholine
CID 22624730

Frequently Asked Questions

What is the IUPAC name of 2'-fluorospiro[benzo[f]chromene-3,9'-fluorene]?
The IUPAC name of 2'-fluorospiro[benzo[f]chromene-3,9'-fluorene] (CID 100954914) is 2'-fluorospiro[benzo[f]chromene-3,9'-fluorene].
What is the SMILES notation for 2'-fluorospiro[benzo[f]chromene-3,9'-fluorene]?
The canonical SMILES for 2'-fluorospiro[benzo[f]chromene-3,9'-fluorene] is Fc1ccc2c(c1)C1(C=Cc3c(ccc4ccccc34)O1)c1ccccc1-2.
What is the InChIKey of 2'-fluorospiro[benzo[f]chromene-3,9'-fluorene]?
The InChIKey is SUIDXWYPLHCDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FO/c26-17-10-11-20-19-7-3-4-8-22(19)25(23(20)15-17)14-13-21-18-6-2-1-5-16(18)9-12-24(21)27-25/h1-15H.
What are the key properties of 2'-fluorospiro[benzo[f]chromene-3,9'-fluorene]?
2'-fluorospiro[benzo[f]chromene-3,9'-fluorene] has a molecular weight of 350.39 g/mol, XLogP of 6.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-fluorospiro[benzo[f]chromene-3,9'-fluorene] is sourced from PubChem (CID 100954914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).