CID 90970229

C18H20F2N2O2 — CID 90970229

IUPAC—
SMILESCc1ccc2c(c1)C1(NC(=O)N(C)C1=O)C1(CCC(F)(F)CC1)C2
InChIInChI=1S/C18H20F2N2O2/c1-11-3-4-12-10-16(5-7-17(19,20)8-6-16)18(13(12)9-11)14(23)22(2)15(24)21-18/h3-4,9H,5-8,10H2,1-2H3,(H,21,24)
InChIKeyFHGBYHGZVNNBRO-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.12
Rot. Bonds

About CID 90970229

CID 90970229 (PubChem CID 90970229) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol.

Molecular Properties

Compound NameCID 90970229
PubChem CID90970229
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name—
SMILESCc1ccc2c(c1)C1(NC(=O)N(C)C1=O)C1(CCC(F)(F)CC1)C2
InChIInChI=1S/C18H20F2N2O2/c1-11-3-4-12-10-16(5-7-17(19,20)8-6-16)18(13(12)9-11)14(23)22(2)15(24)21-18/h3-4,9H,5-8,10H2,1-2H3,(H,21,24)
InChIKeyFHGBYHGZVNNBRO-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 90970229?
The IUPAC name of CID 90970229 (CID 90970229) is not available.
What is the SMILES notation for CID 90970229?
The canonical SMILES for CID 90970229 is Cc1ccc2c(c1)C1(NC(=O)N(C)C1=O)C1(CCC(F)(F)CC1)C2.
What is the InChIKey of CID 90970229?
The InChIKey is FHGBYHGZVNNBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-11-3-4-12-10-16(5-7-17(19,20)8-6-16)18(13(12)9-11)14(23)22(2)15(24)21-18/h3-4,9H,5-8,10H2,1-2H3,(H,21,24).
What are the key properties of CID 90970229?
CID 90970229 has a molecular weight of 334.37 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90970229 is sourced from PubChem (CID 90970229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).