2-(1,1,1-trifluoropropan-2-yloxy)butanamide

C7H12F3NO2 — CID 66274618

IUPAC2-(1,1,1-trifluoropropan-2-yloxy)butanamide
SMILESCCC(OC(C)C(F)(F)F)C(N)=O
InChIInChI=1S/C7H12F3NO2/c1-3-5(6(11)12)13-4(2)7(8,9)10/h4-5H,3H2,1-2H3,(H2,11,12)
InChIKeyBOYHTTDLCUBXJE-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.22
Rot. Bonds4

About 2-(1,1,1-trifluoropropan-2-yloxy)butanamide

2-(1,1,1-trifluoropropan-2-yloxy)butanamide (PubChem CID 66274618) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-(1,1,1-trifluoropropan-2-yloxy)butanamide.

Molecular Properties

Compound Name2-(1,1,1-trifluoropropan-2-yloxy)butanamide
PubChem CID66274618
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2-(1,1,1-trifluoropropan-2-yloxy)butanamide
SMILESCCC(OC(C)C(F)(F)F)C(N)=O
InChIInChI=1S/C7H12F3NO2/c1-3-5(6(11)12)13-4(2)7(8,9)10/h4-5H,3H2,1-2H3,(H2,11,12)
InChIKeyBOYHTTDLCUBXJE-UHFFFAOYSA-N
XLogP1.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)butanimidamide
CID 77102469
2-(2,2-difluoroethoxy)butanamide
CID 82006448
2-(ethylamino)-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66277020
2-(2-methoxyethoxy)butanamide
CID 62900293
2-[3-(aminomethyl)pentan-3-yloxy]butanamide
CID 65051294
(2R,3R)-2,3-dimethylpentanamide
CID 170847775
1,1,1-trifluoropropan-2-yl butanoate
CID 135290882
(1-amino-3-methyl-1-oxopentan-2-yl) carbamate
CID 174514155
2-methyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66275717
(2S)-2-fluoropropanamide
CID 129374964
2,2,2-trifluoroethyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate
CID 123435278
(2S)-2,3,3,3-tetrafluoropropanamide
CID 7005133

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxy)butanamide?
The IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxy)butanamide (CID 66274618) is 2-(1,1,1-trifluoropropan-2-yloxy)butanamide.
What is the SMILES notation for 2-(1,1,1-trifluoropropan-2-yloxy)butanamide?
The canonical SMILES for 2-(1,1,1-trifluoropropan-2-yloxy)butanamide is CCC(OC(C)C(F)(F)F)C(N)=O.
What is the InChIKey of 2-(1,1,1-trifluoropropan-2-yloxy)butanamide?
The InChIKey is BOYHTTDLCUBXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-3-5(6(11)12)13-4(2)7(8,9)10/h4-5H,3H2,1-2H3,(H2,11,12).
What are the key properties of 2-(1,1,1-trifluoropropan-2-yloxy)butanamide?
2-(1,1,1-trifluoropropan-2-yloxy)butanamide has a molecular weight of 199.17 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoropropan-2-yloxy)butanamide is sourced from PubChem (CID 66274618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).