1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide

C11H11F3N2O2 — CID 140758304

IUPAC1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2ccc(OCC(F)(F)F)cn2)CC1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)6-18-7-1-2-8(16-5-7)10(3-4-10)9(15)17/h1-2,5H,3-4,6H2,(H2,15,17)
InChIKeyOXFCQDOJEDEDPK-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.54
Rot. Bonds4

About 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide

1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 140758304) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID140758304
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2ccc(OCC(F)(F)F)cn2)CC1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)6-18-7-1-2-8(16-5-7)10(3-4-10)9(15)17/h1-2,5H,3-4,6H2,(H2,15,17)
InChIKeyOXFCQDOJEDEDPK-UHFFFAOYSA-N
XLogP1.54
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid
CID 112706925
[6-(trifluoromethyl)-3-pyridinyl] carbamate
CID 69179111
1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol
CID 167932975
6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 165153609
N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 169237349
ethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 162342784
1-[2-chloro-4-(2,2,2-trifluoroethoxy)benzoyl]-4-methyl-3,5-dihydro-2H-1-benzazepine-4-carboxamide
CID 76902322
1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine
CID 112584686
N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride
CID 144987991
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 111437572
4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide
CID 144998145
1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone
CID 172850799

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide (CID 140758304) is 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide is NC(=O)C1(c2ccc(OCC(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is OXFCQDOJEDEDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)6-18-7-1-2-8(16-5-7)10(3-4-10)9(15)17/h1-2,5H,3-4,6H2,(H2,15,17).
What are the key properties of 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide?
1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 260.21 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 140758304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).