tert-butyl N-[(2S)-2-ethoxy-3,3,3-trifluoropropyl]carbamate

C10H18F3NO3 — CID 88916795

IUPACtert-butyl N-[(2S)-2-ethoxy-3,3,3-trifluoropropyl]carbamate
SMILESCCO[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-5-16-7(10(11,12)13)6-14-8(15)17-9(2,3)4/h7H,5-6H2,1-4H3,(H,14,15)/t7-/m0/s1
InChIKeyAHYIYVUFAVAIOX-ZETCQYMHSA-N
MW257.25 g/mol
LogP2.48
Rot. Bonds4

About tert-butyl N-[(2S)-2-ethoxy-3,3,3-trifluoropropyl]carbamate

tert-butyl N-[(2S)-2-ethoxy-3,3,3-trifluoropropyl]carbamate (PubChem CID 88916795) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-ethoxy-3,3,3-trifluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-ethoxy-3,3,3-trifluoropropyl]carbamate
PubChem CID88916795
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Nametert-butyl N-[(2S)-2-ethoxy-3,3,3-trifluoropropyl]carbamate
SMILESCCO[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-5-16-7(10(11,12)13)6-14-8(15)17-9(2,3)4/h7H,5-6H2,1-4H3,(H,14,15)/t7-/m0/s1
InChIKeyAHYIYVUFAVAIOX-ZETCQYMHSA-N
XLogP2.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate
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tert-butyl N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate
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tert-butyl N-(2-(2-(methylamino)ethoxy)ethyl)carbamate
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tert-butyl N-(3,3-difluoro-2-hydroxypropyl)carbamate
CID 71755389
tert-butyl N-{3-[2-(methylamino)ethoxy]propyl}carbamate
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tert-butyl N-(4-amino-2-methoxybutyl)carbamate
CID 117273632
tert-butyl N-(3-amino-2-methoxypropyl)carbamate hydrochloride
CID 155978350
tert-butyl N-[(2S)-3-amino-2-methoxypropyl]carbamate
CID 165991398
CID 178200645
CID 178200645
Carbamic acid, [2-(1,1-dimethylethoxy)ethyl]-, 1,1-dimethylethyl ester (9CI)
CID 11195314
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-ethoxy-3,3,3-trifluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-ethoxy-3,3,3-trifluoropropyl]carbamate (CID 88916795) is tert-butyl N-[(2S)-2-ethoxy-3,3,3-trifluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-ethoxy-3,3,3-trifluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-ethoxy-3,3,3-trifluoropropyl]carbamate is CCO[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F.
What is the InChIKey of tert-butyl N-[(2S)-2-ethoxy-3,3,3-trifluoropropyl]carbamate?
The InChIKey is AHYIYVUFAVAIOX-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-5-16-7(10(11,12)13)6-14-8(15)17-9(2,3)4/h7H,5-6H2,1-4H3,(H,14,15)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-ethoxy-3,3,3-trifluoropropyl]carbamate?
tert-butyl N-[(2S)-2-ethoxy-3,3,3-trifluoropropyl]carbamate has a molecular weight of 257.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-ethoxy-3,3,3-trifluoropropyl]carbamate is sourced from PubChem (CID 88916795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).