6-(2,2-difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

C20H25F2NO — CID 162526132

IUPAC6-(2,2-difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCCC1(CC(F)F)C2CC3(c4ccccc4)CC1C(C(N)=O)(C2)C3
InChIInChI=1S/C20H25F2NO/c1-2-19(11-16(21)22)14-8-18(13-6-4-3-5-7-13)10-15(19)20(9-14,12-18)17(23)24/h3-7,14-16H,2,8-12H2,1H3,(H2,23,24)
InChIKeyQVMPYUKZKNPKBC-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.28
Rot. Bonds5

About 6-(2,2-difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

6-(2,2-difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 162526132) has the molecular formula C20H25F2NO and a molecular weight of 333.42 g/mol. Its IUPAC name is 6-(2,2-difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name6-(2,2-difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID162526132
Molecular FormulaC20H25F2NO
Molecular Weight333.42 g/mol
Exact Mass333.19
IUPAC Name6-(2,2-difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCCC1(CC(F)F)C2CC3(c4ccccc4)CC1C(C(N)=O)(C2)C3
InChIInChI=1S/C20H25F2NO/c1-2-19(11-16(21)22)14-8-18(13-6-4-3-5-7-13)10-15(19)20(9-14,12-18)17(23)24/h3-7,14-16H,2,8-12H2,1H3,(H2,23,24)
InChIKeyQVMPYUKZKNPKBC-UHFFFAOYSA-N
XLogP4.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of 6-(2,2-difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 162526132) is 6-(2,2-difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for 6-(2,2-difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for 6-(2,2-difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is CCC1(CC(F)F)C2CC3(c4ccccc4)CC1C(C(N)=O)(C2)C3.
What is the InChIKey of 6-(2,2-difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is QVMPYUKZKNPKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2NO/c1-2-19(11-16(21)22)14-8-18(13-6-4-3-5-7-13)10-15(19)20(9-14,12-18)17(23)24/h3-7,14-16H,2,8-12H2,1H3,(H2,23,24).
What are the key properties of 6-(2,2-difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
6-(2,2-difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethyl)-6-ethyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 162526132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).