N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide

C14H20F3NO2 — CID 103723331

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20F3NO2/c15-14(16,17)11(19)7-18-12(20)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-11,19H,1-7H2,(H,18,20)
InChIKeyQYLHRWHBYKLCEB-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.24
Rot. Bonds3

About N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide

N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide (PubChem CID 103723331) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide
PubChem CID103723331
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20F3NO2/c15-14(16,17)11(19)7-18-12(20)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-11,19H,1-7H2,(H,18,20)
InChIKeyQYLHRWHBYKLCEB-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide (CID 103723331) is N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide is O=C(NCC(O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide?
The InChIKey is QYLHRWHBYKLCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c15-14(16,17)11(19)7-18-12(20)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-11,19H,1-7H2,(H,18,20).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-1-carboxamide is sourced from PubChem (CID 103723331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).