N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide

C12H20F3NO2 — CID 103915349

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide
SMILESO=C(C1CCCCCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)9-16(7-8-17)11(18)10-5-3-1-2-4-6-10/h10,17H,1-9H2
InChIKeyGUAHRKSAMOSSIG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.34
Rot. Bonds4

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide (PubChem CID 103915349) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide
PubChem CID103915349
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide
SMILESO=C(C1CCCCCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)9-16(7-8-17)11(18)10-5-3-1-2-4-6-10/h10,17H,1-9H2
InChIKeyGUAHRKSAMOSSIG-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide (CID 103915349) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide is O=C(C1CCCCCC1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide?
The InChIKey is GUAHRKSAMOSSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)9-16(7-8-17)11(18)10-5-3-1-2-4-6-10/h10,17H,1-9H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptanecarboxamide is sourced from PubChem (CID 103915349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).