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

C14H20F3NO2 — CID 103730641

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-2-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20F3NO2/c15-14(16,17)11(19)6-18-13(20)12-9-2-7-1-8(4-9)5-10(12)3-7/h7-12,19H,1-6H2,(H,18,20)
InChIKeyZWDZJUAPFZRQST-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.10
Rot. Bonds3

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

N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-2-carboxamide (PubChem CID 103730641) 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-2-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-2-carboxamide
PubChem CID103730641
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-2-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20F3NO2/c15-14(16,17)11(19)6-18-13(20)12-9-2-7-1-8(4-9)5-10(12)3-7/h7-12,19H,1-6H2,(H,18,20)
InChIKeyZWDZJUAPFZRQST-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
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-2-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-2-carboxamide (CID 103730641) is N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-2-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-2-carboxamide is O=C(NCC(O)C(F)(F)F)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-2-carboxamide?
The InChIKey is ZWDZJUAPFZRQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c15-14(16,17)11(19)6-18-13(20)12-9-2-7-1-8(4-9)5-10(12)3-7/h7-12,19H,1-6H2,(H,18,20).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-2-carboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)adamantane-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.10, 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-2-carboxamide is sourced from PubChem (CID 103730641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).