1-chloro-5-fluoro-7,7-dimethylbenzo[c]fluorene

C19H14ClF — CID 141376670

IUPAC1-chloro-5-fluoro-7,7-dimethylbenzo[c]fluorene
SMILESCC1(C)c2ccccc2-c2c1cc(F)c1cccc(Cl)c21
InChIInChI=1S/C19H14ClF/c1-19(2)13-8-4-3-6-11(13)17-14(19)10-16(21)12-7-5-9-15(20)18(12)17/h3-10H,1-2H3
InChIKeyRNDCTEZCJIVVSS-UHFFFAOYSA-N
MW296.77 g/mol
LogP5.94
Rot. Bonds

About 1-chloro-5-fluoro-7,7-dimethylbenzo[c]fluorene

1-chloro-5-fluoro-7,7-dimethylbenzo[c]fluorene (PubChem CID 141376670) has the molecular formula C19H14ClF and a molecular weight of 296.77 g/mol. Its IUPAC name is 1-chloro-5-fluoro-7,7-dimethylbenzo[c]fluorene.

Molecular Properties

Compound Name1-chloro-5-fluoro-7,7-dimethylbenzo[c]fluorene
PubChem CID141376670
Molecular FormulaC19H14ClF
Molecular Weight296.77 g/mol
Exact Mass296.08
IUPAC Name1-chloro-5-fluoro-7,7-dimethylbenzo[c]fluorene
SMILESCC1(C)c2ccccc2-c2c1cc(F)c1cccc(Cl)c21
InChIInChI=1S/C19H14ClF/c1-19(2)13-8-4-3-6-11(13)17-14(19)10-16(21)12-7-5-9-15(20)18(12)17/h3-10H,1-2H3
InChIKeyRNDCTEZCJIVVSS-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.77
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-fluoro-7,7-dimethylbenzo[c]fluorene?
The IUPAC name of 1-chloro-5-fluoro-7,7-dimethylbenzo[c]fluorene (CID 141376670) is 1-chloro-5-fluoro-7,7-dimethylbenzo[c]fluorene.
What is the SMILES notation for 1-chloro-5-fluoro-7,7-dimethylbenzo[c]fluorene?
The canonical SMILES for 1-chloro-5-fluoro-7,7-dimethylbenzo[c]fluorene is CC1(C)c2ccccc2-c2c1cc(F)c1cccc(Cl)c21.
What is the InChIKey of 1-chloro-5-fluoro-7,7-dimethylbenzo[c]fluorene?
The InChIKey is RNDCTEZCJIVVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF/c1-19(2)13-8-4-3-6-11(13)17-14(19)10-16(21)12-7-5-9-15(20)18(12)17/h3-10H,1-2H3.
What are the key properties of 1-chloro-5-fluoro-7,7-dimethylbenzo[c]fluorene?
1-chloro-5-fluoro-7,7-dimethylbenzo[c]fluorene has a molecular weight of 296.77 g/mol, XLogP of 5.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-fluoro-7,7-dimethylbenzo[c]fluorene is sourced from PubChem (CID 141376670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).