(2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate

C21H16F2O2 — CID 67971527

IUPAC(2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate
SMILESCC(=O)Oc1cc2c(c3cc(F)cc(F)c13)-c1ccccc1C2(C)C
InChIInChI=1S/C21H16F2O2/c1-11(24)25-18-10-16-19(14-8-12(22)9-17(23)20(14)18)13-6-4-5-7-15(13)21(16,2)3/h4-10H,1-3H3
InChIKeyLEPUSAOVCGIPSO-UHFFFAOYSA-N
MW338.35 g/mol
LogP5.35
Rot. Bonds1

About (2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate

(2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate (PubChem CID 67971527) has the molecular formula C21H16F2O2 and a molecular weight of 338.35 g/mol. Its IUPAC name is (2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate.

Molecular Properties

Compound Name(2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate
PubChem CID67971527
Molecular FormulaC21H16F2O2
Molecular Weight338.35 g/mol
Exact Mass338.11
IUPAC Name(2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate
SMILESCC(=O)Oc1cc2c(c3cc(F)cc(F)c13)-c1ccccc1C2(C)C
InChIInChI=1S/C21H16F2O2/c1-11(24)25-18-10-16-19(14-8-12(22)9-17(23)20(14)18)13-6-4-5-7-15(13)21(16,2)3/h4-10H,1-3H3
InChIKeyLEPUSAOVCGIPSO-UHFFFAOYSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.35
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7,7-dimethylbenzo[c]fluoren-5-yl) acetate
CID 67171677
5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 88549809
[4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone
CID 88549557
(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
5-iodo-7,7-dimethylbenzo[c]fluorene
CID 144938890
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
(12,12,15-trimethyl-17-oxo-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaenyl) acetate
CID 118083699
4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
CID 90266614
3-fluoro-9,9-dimethylfluorene
CID 130217991
triphenylen-1-yl acetate
CID 87276472
1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol
CID 141338587
19-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724618

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate?
The IUPAC name of (2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate (CID 67971527) is (2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate.
What is the SMILES notation for (2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate?
The canonical SMILES for (2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate is CC(=O)Oc1cc2c(c3cc(F)cc(F)c13)-c1ccccc1C2(C)C.
What is the InChIKey of (2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate?
The InChIKey is LEPUSAOVCGIPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2O2/c1-11(24)25-18-10-16-19(14-8-12(22)9-17(23)20(14)18)13-6-4-5-7-15(13)21(16,2)3/h4-10H,1-3H3.
What are the key properties of (2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate?
(2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate has a molecular weight of 338.35 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate is sourced from PubChem (CID 67971527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).