N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide

C11H17F2NO2 — CID 103770113

IUPACN-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CC2CCC1C2
InChIInChI=1S/C11H17F2NO2/c12-10(13)9(15)5-14-11(16)8-4-6-1-2-7(8)3-6/h6-10,15H,1-5H2,(H,14,16)
InChIKeyDTFAZVZOCODFMF-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.16
Rot. Bonds4

About N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 103770113) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID103770113
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CC2CCC1C2
InChIInChI=1S/C11H17F2NO2/c12-10(13)9(15)5-14-11(16)8-4-6-1-2-7(8)3-6/h6-10,15H,1-5H2,(H,14,16)
InChIKeyDTFAZVZOCODFMF-UHFFFAOYSA-N
XLogP1.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 103770113) is N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCC(O)C(F)F)C1CC2CCC1C2.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is DTFAZVZOCODFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c12-10(13)9(15)5-14-11(16)8-4-6-1-2-7(8)3-6/h6-10,15H,1-5H2,(H,14,16).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 233.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 103770113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).