propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate

C8H14F3NO3 — CID 116656095

IUPACpropan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate
SMILESCC(C)OC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-6(2)15-7(13)12-3-4-14-5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyGPDNVRXXJHNSTA-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.70
Rot. Bonds5

About propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate

propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate (PubChem CID 116656095) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate
PubChem CID116656095
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Namepropan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate
SMILESCC(C)OC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-6(2)15-7(13)12-3-4-14-5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyGPDNVRXXJHNSTA-UHFFFAOYSA-N
XLogP1.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162683918
propan-2-yl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate
CID 169024379
1-[2-(2-methylpropoxy)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 87034535
2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]propanoic acid
CID 63834426
2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate
CID 61068488
(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 55261278
(2S)-3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]butanoic acid
CID 63833892
1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113223589
2-(propan-2-yloxycarbonylamino)ethyl carbonochloridate
CID 14073059
2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683352
3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 63834246
(2S)-3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 63833005

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate?
The IUPAC name of propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate (CID 116656095) is propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate is CC(C)OC(=O)NCCOCC(F)(F)F.
What is the InChIKey of propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate?
The InChIKey is GPDNVRXXJHNSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-6(2)15-7(13)12-3-4-14-5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate?
propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate has a molecular weight of 229.20 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate is sourced from PubChem (CID 116656095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).