tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate

C10H18F3NO3 — CID 86710332

IUPACtert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-9(2,3)17-8(16)14-7(6-15)4-5-10(11,12)13/h7,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyBBVWKZYPGJJDEK-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.21
Rot. Bonds4

About tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate

tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate (PubChem CID 86710332) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate
PubChem CID86710332
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Nametert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-9(2,3)17-8(16)14-7(6-15)4-5-10(11,12)13/h7,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyBBVWKZYPGJJDEK-UHFFFAOYSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate
CID 20792131
tert-butyl N-[(2R)-1-hydroxyoctadecan-2-yl]carbamate
CID 101217988
tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane
CID 176970669
tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate;methanesulfonic acid
CID 86663657
ethyl (4S)-2,2-difluoro-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 102462911
tert-butyl N-[(2S)-1-fluoro-4-hydroxybutan-2-yl]carbamate
CID 93002503
tert-butyl N-[(2R)-4-amino-1-hydroxy-4-oxobutan-2-yl]carbamate
CID 51387393
tert-butyl N-(4-amino-1-hydroxy-4-oxobutan-2-yl)carbamate
CID 53396005
sodium;boranuide;tert-butyl (3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 173145039
tert-butyl N-[(2R)-1,1-dideuterio-1-(difluoromethoxy)-3-hydroxypropan-2-yl]carbamate
CID 175973536
tert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate
CID 170168856

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate (CID 86710332) is tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CO)CCC(F)(F)F.
What is the InChIKey of tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate?
The InChIKey is BBVWKZYPGJJDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-9(2,3)17-8(16)14-7(6-15)4-5-10(11,12)13/h7,15H,4-6H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate?
tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate has a molecular weight of 257.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate is sourced from PubChem (CID 86710332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).