6,6-difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide

C17H17F2NO — CID 166985354

IUPAC6,6-difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
SMILESNC(=O)C12CC3C(F)(F)C4CC(c5ccccc5)(C1)C34C2
InChIInChI=1S/C17H17F2NO/c18-17(19)11-6-14(13(20)21)8-15(10-4-2-1-3-5-10)7-12(17)16(11,15)9-14/h1-5,11-12H,6-9H2,(H2,20,21)
InChIKeyUDBBSNAPNJJLBS-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.87
Rot. Bonds2

About 6,6-difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide

6,6-difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide (PubChem CID 166985354) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is 6,6-difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide.

Molecular Properties

Compound Name6,6-difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
PubChem CID166985354
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC Name6,6-difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
SMILESNC(=O)C12CC3C(F)(F)C4CC(c5ccccc5)(C1)C34C2
InChIInChI=1S/C17H17F2NO/c18-17(19)11-6-14(13(20)21)8-15(10-4-2-1-3-5-10)7-12(17)16(11,15)9-14/h1-5,11-12H,6-9H2,(H2,20,21)
InChIKeyUDBBSNAPNJJLBS-UHFFFAOYSA-N
XLogP2.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide?
The IUPAC name of 6,6-difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide (CID 166985354) is 6,6-difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide.
What is the SMILES notation for 6,6-difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide?
The canonical SMILES for 6,6-difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide is NC(=O)C12CC3C(F)(F)C4CC(c5ccccc5)(C1)C34C2.
What is the InChIKey of 6,6-difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide?
The InChIKey is UDBBSNAPNJJLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c18-17(19)11-6-14(13(20)21)8-15(10-4-2-1-3-5-10)7-12(17)16(11,15)9-14/h1-5,11-12H,6-9H2,(H2,20,21).
What are the key properties of 6,6-difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide?
6,6-difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide is sourced from PubChem (CID 166985354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).