2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate

C9H16F3NO3 — CID 60705940

IUPAC2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate
SMILESCC(C)OCCCNC(=O)OCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-7(2)15-5-3-4-13-8(14)16-6-9(10,11)12/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyRMPQQEXUXQCQJV-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.09
Rot. Bonds6

About 2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate

2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate (PubChem CID 60705940) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate
PubChem CID60705940
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate
SMILESCC(C)OCCCNC(=O)OCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-7(2)15-5-3-4-13-8(14)16-6-9(10,11)12/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyRMPQQEXUXQCQJV-UHFFFAOYSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.09
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

2,2,2-trifluoroethyl N-(4-methylpentyl)carbamate
CID 23060469
propyl N-(4-propan-2-yloxybutyl)carbamate
CID 149467433
2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate
CID 103918683
2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate
CID 61068488
(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 79012909
4-amino-2-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 80543906
3-amino-2,2-dimethyl-N-(3-propan-2-yloxypropyl)propanamide
CID 81484725
2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate
CID 113230410
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide
CID 92660589
2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate
CID 102701054
N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47015106

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate (CID 60705940) is 2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate is CC(C)OCCCNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate?
The InChIKey is RMPQQEXUXQCQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-7(2)15-5-3-4-13-8(14)16-6-9(10,11)12/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate?
2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate has a molecular weight of 243.22 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate is sourced from PubChem (CID 60705940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).