N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C9H14F3NO3 — CID 103209117

IUPACN-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1CC(O)C1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)5-16-4-8(15)13-3-6-1-7(14)2-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyRRQSPRCLVAOANQ-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.45
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209117) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209117
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1CC(O)C1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)5-16-4-8(15)13-3-6-1-7(14)2-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyRRQSPRCLVAOANQ-UHFFFAOYSA-N
XLogP0.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103280152
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 120945294
N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113265453
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212934
3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-ol
CID 66006339
2-amino-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66005079
N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103548442
N-(morpholin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206342
2-(2-amino-2-methylpropoxy)-N-(cyclopropylmethyl)acetamide
CID 64538004
N-(2-amino-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807475
1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)propyl]urea
CID 111504670
2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid
CID 106120428

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209117) is N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NCC1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is RRQSPRCLVAOANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)5-16-4-8(15)13-3-6-1-7(14)2-6/h6-7,14H,1-5H2,(H,13,15).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 241.21 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).