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

C10H18F3NO3 — CID 171802376

IUPACtert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate
SMILESCC(O)C(CC(F)(F)F)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H18F3NO3/c1-6(15)7(5-10(11,12)13)14-8(16)17-9(2,3)4/h6-7,15H,5H2,1-4H3,(H,14,16)
InChIKeyBEBBLIMKUVKKIA-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.21
Rot. Bonds3

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

tert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate (PubChem CID 171802376) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is tert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate
PubChem CID171802376
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Nametert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate
SMILESCC(O)C(CC(F)(F)F)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H18F3NO3/c1-6(15)7(5-10(11,12)13)14-8(16)17-9(2,3)4/h6-7,15H,5H2,1-4H3,(H,14,16)
InChIKeyBEBBLIMKUVKKIA-UHFFFAOYSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate
CID 58898105
(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118276545
tert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate
CID 75091028
tert-butyl N-(1,1,1-trifluoro-4,4-dimethylpentan-3-yl)carbamate
CID 59458915
tert-butyl N-[(2S,3S)-2-hydroxyheptan-3-yl]carbamate
CID 23243729
tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 87666537
tert-butyl N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 10978099
tert-butyl N-[5-(tert-butylamino)-1,1,1-trifluoro-4,5-dioxopentan-3-yl]carbamate
CID 21258897
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,3S)-1,3-dihydroxy-4-methylpentan-2-yl]carbamate
CID 14310881
tert-butyl N-(4-fluoro-1-hydroxy-3-methylbutan-2-yl)carbamate
CID 130004044
ethyl (2S)-4,4,4-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 155904954

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate (CID 171802376) is tert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate is CC(O)C(CC(F)(F)F)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate?
The InChIKey is BEBBLIMKUVKKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-6(15)7(5-10(11,12)13)14-8(16)17-9(2,3)4/h6-7,15H,5H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate?
tert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate has a molecular weight of 257.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate is sourced from PubChem (CID 171802376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).