tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate

C11H20F3NO2 — CID 58898105

IUPACtert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate
SMILESCC(C)C(CC(F)(F)F)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20F3NO2/c1-7(2)8(6-11(12,13)14)15-9(16)17-10(3,4)5/h7-8H,6H2,1-5H3,(H,15,16)
InChIKeyZSRWUJQRTVEAOA-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.49
Rot. Bonds3

About tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate

tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate (PubChem CID 58898105) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate
PubChem CID58898105
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Nametert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate
SMILESCC(C)C(CC(F)(F)F)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20F3NO2/c1-7(2)8(6-11(12,13)14)15-9(16)17-10(3,4)5/h7-8H,6H2,1-5H3,(H,15,16)
InChIKeyZSRWUJQRTVEAOA-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate
CID 171802376
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]diselanyl]butan-2-yl]carbamate
CID 139264879
tert-butyl N-(1,1,1-trifluoro-4,4-dimethylpentan-3-yl)carbamate
CID 59458915
tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
CID 11141505
tert-butyl N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 87477260
tert-butyl (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 11594439
tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate
CID 85361327
tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 87666537
tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate
CID 85303813
tert-butyl N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 10978099
tert-butyl N-(3-amino-4,4,4-trifluorobutan-2-yl)carbamate
CID 130681792

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate (CID 58898105) is tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate is CC(C)C(CC(F)(F)F)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate?
The InChIKey is ZSRWUJQRTVEAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-7(2)8(6-11(12,13)14)15-9(16)17-10(3,4)5/h7-8H,6H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate?
tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate has a molecular weight of 255.28 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate is sourced from PubChem (CID 58898105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).