6-(3,3-difluoropropyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide

C19H21F2NO — CID 162525457

IUPAC6-(3,3-difluoropropyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide
SMILESNC(=O)C12CC3C(CCC(F)F)C4CC(c5ccccc5)(C1)C342
InChIInChI=1S/C19H21F2NO/c20-15(21)7-6-12-13-8-17(11-4-2-1-3-5-11)10-18(16(22)23)9-14(12)19(13,17)18/h1-5,12-15H,6-10H2,(H2,22,23)
InChIKeyKXOCGZZSPOUUIV-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.50
Rot. Bonds5

About 6-(3,3-difluoropropyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide

6-(3,3-difluoropropyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide (PubChem CID 162525457) has the molecular formula C19H21F2NO and a molecular weight of 317.38 g/mol. Its IUPAC name is 6-(3,3-difluoropropyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide.

Molecular Properties

Compound Name6-(3,3-difluoropropyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide
PubChem CID162525457
Molecular FormulaC19H21F2NO
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name6-(3,3-difluoropropyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide
SMILESNC(=O)C12CC3C(CCC(F)F)C4CC(c5ccccc5)(C1)C342
InChIInChI=1S/C19H21F2NO/c20-15(21)7-6-12-13-8-17(11-4-2-1-3-5-11)10-18(16(22)23)9-14(12)19(13,17)18/h1-5,12-15H,6-10H2,(H2,22,23)
InChIKeyKXOCGZZSPOUUIV-UHFFFAOYSA-N
XLogP3.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
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-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide?
The IUPAC name of 6-(3,3-difluoropropyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide (CID 162525457) is 6-(3,3-difluoropropyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide.
What is the SMILES notation for 6-(3,3-difluoropropyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide?
The canonical SMILES for 6-(3,3-difluoropropyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide is NC(=O)C12CC3C(CCC(F)F)C4CC(c5ccccc5)(C1)C342.
What is the InChIKey of 6-(3,3-difluoropropyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide?
The InChIKey is KXOCGZZSPOUUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO/c20-15(21)7-6-12-13-8-17(11-4-2-1-3-5-11)10-18(16(22)23)9-14(12)19(13,17)18/h1-5,12-15H,6-10H2,(H2,22,23).
What are the key properties of 6-(3,3-difluoropropyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide?
6-(3,3-difluoropropyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide has a molecular weight of 317.38 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-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide is sourced from PubChem (CID 162525457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).