N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide

C10H17F3N2O2 — CID 112737624

IUPACN-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide
SMILESCCNC(=O)N1CCCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-2-14-8(16)15-6-3-4-9(17,5-7-15)10(11,12)13/h17H,2-7H2,1H3,(H,14,16)
InChIKeyGOCPBDQCGFUDIL-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.50
Rot. Bonds1

About N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide

N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide (PubChem CID 112737624) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide
PubChem CID112737624
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide
SMILESCCNC(=O)N1CCCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-2-14-8(16)15-6-3-4-9(17,5-7-15)10(11,12)13/h17H,2-7H2,1H3,(H,14,16)
InChIKeyGOCPBDQCGFUDIL-UHFFFAOYSA-N
XLogP1.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]butan-1-one
CID 112737673
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118219117
N-ethyl-3,3-dimethylpiperidine-1-carboxamide
CID 115624358
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one
CID 113341327
4-amino-N-ethyl-8-azaspiro[4.5]decane-8-carboxamide
CID 165463057
4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 127798821
4-hydroxy-N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75483152
(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 112737765
N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide
CID 130856026
4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid
CID 120874267
4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75443027
N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 110203876

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide?
The IUPAC name of N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide (CID 112737624) is N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide.
What is the SMILES notation for N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide?
The canonical SMILES for N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide is CCNC(=O)N1CCCC(O)(C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide?
The InChIKey is GOCPBDQCGFUDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-14-8(16)15-6-3-4-9(17,5-7-15)10(11,12)13/h17H,2-7H2,1H3,(H,14,16).
What are the key properties of N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide?
N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide is sourced from PubChem (CID 112737624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).