9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate

C18H14Cl2O2 — CID 7864040

IUPAC9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESC[C@]1(C(=O)OC2c3ccccc3-c3ccccc32)CC1(Cl)Cl
InChIInChI=1S/C18H14Cl2O2/c1-17(10-18(17,19)20)16(21)22-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9,15H,10H2,1H3/t17-/m1/s1
InChIKeySALDGORCXMURFM-QGZVFWFLSA-N
MW333.21 g/mol
LogP4.88
Rot. Bonds2

About 9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate

9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate (PubChem CID 7864040) has the molecular formula C18H14Cl2O2 and a molecular weight of 333.21 g/mol. Its IUPAC name is 9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
PubChem CID7864040
Molecular FormulaC18H14Cl2O2
Molecular Weight333.21 g/mol
Exact Mass332.04
IUPAC Name9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESC[C@]1(C(=O)OC2c3ccccc3-c3ccccc32)CC1(Cl)Cl
InChIInChI=1S/C18H14Cl2O2/c1-17(10-18(17,19)20)16(21)22-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9,15H,10H2,1H3/t17-/m1/s1
InChIKeySALDGORCXMURFM-QGZVFWFLSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The IUPAC name of 9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate (CID 7864040) is 9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate is C[C@]1(C(=O)OC2c3ccccc3-c3ccccc32)CC1(Cl)Cl.
What is the InChIKey of 9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The InChIKey is SALDGORCXMURFM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H14Cl2O2/c1-17(10-18(17,19)20)16(21)22-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9,15H,10H2,1H3/t17-/m1/s1.
What are the key properties of 9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate?
9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate has a molecular weight of 333.21 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 7864040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).