7,7-dimethyl-1-[[4-(trifluoromethyl)phenyl]methylamino]bicyclo[2.2.1]heptan-2-ol

C17H22F3NO — CID 118203252

IUPAC7,7-dimethyl-1-[[4-(trifluoromethyl)phenyl]methylamino]bicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(NCc1ccc(C(F)(F)F)cc1)C(O)C2
InChIInChI=1S/C17H22F3NO/c1-15(2)13-7-8-16(15,14(22)9-13)21-10-11-3-5-12(6-4-11)17(18,19)20/h3-6,13-14,21-22H,7-10H2,1-2H3
InChIKeyYBFBJRBSGYFDHC-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.73
Rot. Bonds3

About 7,7-dimethyl-1-[[4-(trifluoromethyl)phenyl]methylamino]bicyclo[2.2.1]heptan-2-ol

7,7-dimethyl-1-[[4-(trifluoromethyl)phenyl]methylamino]bicyclo[2.2.1]heptan-2-ol (PubChem CID 118203252) has the molecular formula C17H22F3NO and a molecular weight of 313.36 g/mol. Its IUPAC name is 7,7-dimethyl-1-[[4-(trifluoromethyl)phenyl]methylamino]bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name7,7-dimethyl-1-[[4-(trifluoromethyl)phenyl]methylamino]bicyclo[2.2.1]heptan-2-ol
PubChem CID118203252
Molecular FormulaC17H22F3NO
Molecular Weight313.36 g/mol
Exact Mass313.17
IUPAC Name7,7-dimethyl-1-[[4-(trifluoromethyl)phenyl]methylamino]bicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(NCc1ccc(C(F)(F)F)cc1)C(O)C2
InChIInChI=1S/C17H22F3NO/c1-15(2)13-7-8-16(15,14(22)9-13)21-10-11-3-5-12(6-4-11)17(18,19)20/h3-6,13-14,21-22H,7-10H2,1-2H3
InChIKeyYBFBJRBSGYFDHC-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-[[4-(trifluoromethyl)phenyl]methylamino]bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 7,7-dimethyl-1-[[4-(trifluoromethyl)phenyl]methylamino]bicyclo[2.2.1]heptan-2-ol (CID 118203252) is 7,7-dimethyl-1-[[4-(trifluoromethyl)phenyl]methylamino]bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 7,7-dimethyl-1-[[4-(trifluoromethyl)phenyl]methylamino]bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 7,7-dimethyl-1-[[4-(trifluoromethyl)phenyl]methylamino]bicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1(NCc1ccc(C(F)(F)F)cc1)C(O)C2.
What is the InChIKey of 7,7-dimethyl-1-[[4-(trifluoromethyl)phenyl]methylamino]bicyclo[2.2.1]heptan-2-ol?
The InChIKey is YBFBJRBSGYFDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO/c1-15(2)13-7-8-16(15,14(22)9-13)21-10-11-3-5-12(6-4-11)17(18,19)20/h3-6,13-14,21-22H,7-10H2,1-2H3.
What are the key properties of 7,7-dimethyl-1-[[4-(trifluoromethyl)phenyl]methylamino]bicyclo[2.2.1]heptan-2-ol?
7,7-dimethyl-1-[[4-(trifluoromethyl)phenyl]methylamino]bicyclo[2.2.1]heptan-2-ol has a molecular weight of 313.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-[[4-(trifluoromethyl)phenyl]methylamino]bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 118203252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).