tert-butyl N-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamate

C10H18F3NO3 — CID 86594858

IUPACtert-butyl N-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamate
SMILESCN(CC[C@@H](O)C(F)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18F3NO3/c1-9(2,3)17-8(16)14(4)6-5-7(15)10(11,12)13/h7,15H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyBUAAAXGIKKHICY-SSDOTTSWSA-N
MW257.25 g/mol
LogP2.17
Rot. Bonds3

About tert-butyl N-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamate

tert-butyl N-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamate (PubChem CID 86594858) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamate
PubChem CID86594858
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Nametert-butyl N-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamate
SMILESCN(CC[C@@H](O)C(F)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18F3NO3/c1-9(2,3)17-8(16)14(4)6-5-7(15)10(11,12)13/h7,15H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyBUAAAXGIKKHICY-SSDOTTSWSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl (3-hydroxypropyl)methylcarbamate
CID 10375241
1-Boc-3-fluoroazetidine-3-methanol
CID 25260281
(3S,4R)-1-Boc-3-fluoro-4-hydroxypiperidine
CID 40152147
(3R,4R)-tert-Butyl 3-fluoro-4-hydroxypyrrolidine-1-carboxylate
CID 57416936
tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 40152152
tert-Butyl (3S,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 40152148
rac-tert-butyl (3R,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 40152150
Tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 42609254
tert-Butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate
CID 56932106
Tert-butyl 3-(2,2,2-trifluoro-1-hydroxyethyl)azetidine-1-carboxylate
CID 90425161
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
Tert-butyl 3-(difluoromethyl)-3-(hydroxymethyl)azetidine-1-carboxylate
CID 137347566

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamate (CID 86594858) is tert-butyl N-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamate is CN(CC[C@@H](O)C(F)(F)F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamate?
The InChIKey is BUAAAXGIKKHICY-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-9(2,3)17-8(16)14(4)6-5-7(15)10(11,12)13/h7,15H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamate?
tert-butyl N-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamate has a molecular weight of 257.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]carbamate is sourced from PubChem (CID 86594858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).