1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol

C19H12Br2F2O — CID 141338587

IUPAC1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol
SMILESCC1(C)c2ccccc2-c2c1cc(O)c1c(F)c(Br)c(F)c(Br)c21
InChIInChI=1S/C19H12Br2F2O/c1-19(2)9-6-4-3-5-8(9)12-10(19)7-11(24)13-14(12)15(20)18(23)16(21)17(13)22/h3-7,24H,1-2H3
InChIKeyRKISOPFQHFQGEQ-UHFFFAOYSA-N
MW454.11 g/mol
LogP6.65
Rot. Bonds

About 1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol

1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol (PubChem CID 141338587) has the molecular formula C19H12Br2F2O and a molecular weight of 454.11 g/mol. Its IUPAC name is 1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol.

Molecular Properties

Compound Name1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol
PubChem CID141338587
Molecular FormulaC19H12Br2F2O
Molecular Weight454.11 g/mol
Exact Mass451.92
IUPAC Name1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol
SMILESCC1(C)c2ccccc2-c2c1cc(O)c1c(F)c(Br)c(F)c(Br)c21
InChIInChI=1S/C19H12Br2F2O/c1-19(2)9-6-4-3-5-8(9)12-10(19)7-11(24)13-14(12)15(20)18(23)16(21)17(13)22/h3-7,24H,1-2H3
InChIKeyRKISOPFQHFQGEQ-UHFFFAOYSA-N
XLogP6.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.11
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-7,7-dimethylbenzo[c]fluoren-5-ol
CID 68526611
carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)
CID 59317562
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-ol
CID 118146061
3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene
CID 142515722
7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol
CID 20689891
3-fluoro-9,9-dimethylfluorene
CID 130217991
10-fluoren-9-ylidene-9,9-dimethylanthracene
CID 10832973
5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 88549809
9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 58219949
2,4-ditert-butyl-9,9-dimethylfluorene
CID 140861200
5-iodo-7,7-dimethylbenzo[c]fluorene
CID 144938890

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol?
The IUPAC name of 1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol (CID 141338587) is 1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol.
What is the SMILES notation for 1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol?
The canonical SMILES for 1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol is CC1(C)c2ccccc2-c2c1cc(O)c1c(F)c(Br)c(F)c(Br)c21.
What is the InChIKey of 1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol?
The InChIKey is RKISOPFQHFQGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Br2F2O/c1-19(2)9-6-4-3-5-8(9)12-10(19)7-11(24)13-14(12)15(20)18(23)16(21)17(13)22/h3-7,24H,1-2H3.
What are the key properties of 1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol?
1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol has a molecular weight of 454.11 g/mol, XLogP of 6.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol is sourced from PubChem (CID 141338587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).