6-(3,3-difluoropropyl)-3-phenyltricyclo[3.3.0.03,7]octane-1-carboxamide

C18H21F2NO — CID 162754443

IUPAC6-(3,3-difluoropropyl)-3-phenyltricyclo[3.3.0.03,7]octane-1-carboxamide
SMILESNC(=O)C12CC3C(CCC(F)F)C1CC3(c1ccccc1)C2
InChIInChI=1S/C18H21F2NO/c19-15(20)7-6-12-13-9-18(16(21)22)10-17(13,8-14(12)18)11-4-2-1-3-5-11/h1-5,12-15H,6-10H2,(H2,21,22)
InChIKeyDFRVSJATQMMSDM-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.50
Rot. Bonds5

About 6-(3,3-difluoropropyl)-3-phenyltricyclo[3.3.0.03,7]octane-1-carboxamide

6-(3,3-difluoropropyl)-3-phenyltricyclo[3.3.0.03,7]octane-1-carboxamide (PubChem CID 162754443) has the molecular formula C18H21F2NO and a molecular weight of 305.37 g/mol. Its IUPAC name is 6-(3,3-difluoropropyl)-3-phenyltricyclo[3.3.0.03,7]octane-1-carboxamide.

Molecular Properties

Compound Name6-(3,3-difluoropropyl)-3-phenyltricyclo[3.3.0.03,7]octane-1-carboxamide
PubChem CID162754443
Molecular FormulaC18H21F2NO
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name6-(3,3-difluoropropyl)-3-phenyltricyclo[3.3.0.03,7]octane-1-carboxamide
SMILESNC(=O)C12CC3C(CCC(F)F)C1CC3(c1ccccc1)C2
InChIInChI=1S/C18H21F2NO/c19-15(20)7-6-12-13-9-18(16(21)22)10-17(13,8-14(12)18)11-4-2-1-3-5-11/h1-5,12-15H,6-10H2,(H2,21,22)
InChIKeyDFRVSJATQMMSDM-UHFFFAOYSA-N
XLogP3.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropropyl)-3-phenyltricyclo[3.3.0.03,7]octane-1-carboxamide?
The IUPAC name of 6-(3,3-difluoropropyl)-3-phenyltricyclo[3.3.0.03,7]octane-1-carboxamide (CID 162754443) is 6-(3,3-difluoropropyl)-3-phenyltricyclo[3.3.0.03,7]octane-1-carboxamide.
What is the SMILES notation for 6-(3,3-difluoropropyl)-3-phenyltricyclo[3.3.0.03,7]octane-1-carboxamide?
The canonical SMILES for 6-(3,3-difluoropropyl)-3-phenyltricyclo[3.3.0.03,7]octane-1-carboxamide is NC(=O)C12CC3C(CCC(F)F)C1CC3(c1ccccc1)C2.
What is the InChIKey of 6-(3,3-difluoropropyl)-3-phenyltricyclo[3.3.0.03,7]octane-1-carboxamide?
The InChIKey is DFRVSJATQMMSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO/c19-15(20)7-6-12-13-9-18(16(21)22)10-17(13,8-14(12)18)11-4-2-1-3-5-11/h1-5,12-15H,6-10H2,(H2,21,22).
What are the key properties of 6-(3,3-difluoropropyl)-3-phenyltricyclo[3.3.0.03,7]octane-1-carboxamide?
6-(3,3-difluoropropyl)-3-phenyltricyclo[3.3.0.03,7]octane-1-carboxamide has a molecular weight of 305.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropropyl)-3-phenyltricyclo[3.3.0.03,7]octane-1-carboxamide is sourced from PubChem (CID 162754443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).