[2,2-dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid

C11H19F3N2O3 — CID 87869710

IUPAC[2,2-dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid
SMILESCCC(NC(=O)O)(C(=O)NCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H19F3N2O3/c1-5-10(9(2,3)4,16-8(18)19)7(17)15-6-11(12,13)14/h16H,5-6H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyMJSNMJCBBDFUFQ-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.13
Rot. Bonds4

About [2,2-dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid

[2,2-dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid (PubChem CID 87869710) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is [2,2-dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid.

Molecular Properties

Compound Name[2,2-dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid
PubChem CID87869710
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name[2,2-dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid
SMILESCCC(NC(=O)O)(C(=O)NCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H19F3N2O3/c1-5-10(9(2,3)4,16-8(18)19)7(17)15-6-11(12,13)14/h16H,5-6H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyMJSNMJCBBDFUFQ-UHFFFAOYSA-N
XLogP2.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-5,5-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)hexan-2-yl]carbamic acid
CID 87869708
[(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid
CID 87869837
[2,3,3-Trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
CID 87869838
[(2R)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid
CID 87869871
[4,4-Dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid
CID 91206032
[5,5-Dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)hexan-2-yl]carbamic acid
CID 91450598
3-(2-Fluoroethylcarbamoyl)pentan-3-ylcarbamic acid
CID 124155528
3-(3-Fluoropropylcarbamoyl)pentan-3-ylcarbamic acid
CID 124155624
2,2,3-Trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid
CID 65265746
2-[[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-2-ethylbutanoic acid
CID 115430330
2-Ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid
CID 115430404
[(2S)-1-[[(3R)-3,4-dimethylpentyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 143352427

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid?
The IUPAC name of [2,2-dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid (CID 87869710) is [2,2-dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid.
What is the SMILES notation for [2,2-dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid?
The canonical SMILES for [2,2-dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid is CCC(NC(=O)O)(C(=O)NCC(F)(F)F)C(C)(C)C.
What is the InChIKey of [2,2-dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid?
The InChIKey is MJSNMJCBBDFUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-5-10(9(2,3)4,16-8(18)19)7(17)15-6-11(12,13)14/h16H,5-6H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of [2,2-dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid?
[2,2-dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid has a molecular weight of 284.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid is sourced from PubChem (CID 87869710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).