4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide

C10H17F3N2O2 — CID 114130838

IUPAC4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide
SMILESCC(CC(F)(F)F)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C10H17F3N2O2/c1-7(6-10(11,12)13)15-8(16)9(14)2-4-17-5-3-9/h7H,2-6,14H2,1H3,(H,15,16)
InChIKeyOIUBWJKXSUJTGP-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.95
Rot. Bonds3

About 4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide

4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide (PubChem CID 114130838) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide
PubChem CID114130838
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide
SMILESCC(CC(F)(F)F)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C10H17F3N2O2/c1-7(6-10(11,12)13)15-8(16)9(14)2-4-17-5-3-9/h7H,2-6,14H2,1H3,(H,15,16)
InChIKeyOIUBWJKXSUJTGP-UHFFFAOYSA-N
XLogP0.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide
CID 56790354
4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide
CID 146476352
4-(1-sulfanylethylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide
CID 169588057
4-(2,2,2-Trifluoroethylamino)oxane-4-carboxamide
CID 60997365
2-Methyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butanamide
CID 61935937
2-Methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide
CID 61936139
2-(Cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)butanamide
CID 61936343
2-(Ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)butanamide
CID 61938995
2-Amino-4-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 62472850
6-Ethyl-3,6-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione
CID 64873712
6,6-Diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione
CID 64880695
3,3-Diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione
CID 64884704

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide (CID 114130838) is 4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide is CC(CC(F)(F)F)NC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide?
The InChIKey is OIUBWJKXSUJTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(6-10(11,12)13)15-8(16)9(14)2-4-17-5-3-9/h7H,2-6,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide?
4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 114130838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).