2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate

C9H16F3NO3 — CID 103918683

IUPAC2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate
SMILESO=C(NCCCCCCO)OCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c10-9(11,12)7-16-8(15)13-5-3-1-2-4-6-14/h14H,1-7H2,(H,13,15)
InChIKeyRGYKXCRVPHGJKX-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.83
Rot. Bonds7

About 2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate

2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate (PubChem CID 103918683) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate
PubChem CID103918683
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate
SMILESO=C(NCCCCCCO)OCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c10-9(11,12)7-16-8(15)13-5-3-1-2-4-6-14/h14H,1-7H2,(H,13,15)
InChIKeyRGYKXCRVPHGJKX-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
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
4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate
CID 175946939
2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate
CID 60705940
4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide
CID 107318831
2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate
CID 61068488
2,2,2-trifluoroethyl N-[3-(N-methylanilino)propyl]carbamate
CID 65173936
2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate
CID 115595059
2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate
CID 88898193
12-hydroxydodecylurea
CID 57265418
2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate
CID 88898261
2,2,2-trifluoroethyl 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetate
CID 88924126
3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide
CID 107844083

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate (CID 103918683) is 2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate is O=C(NCCCCCCO)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate?
The InChIKey is RGYKXCRVPHGJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c10-9(11,12)7-16-8(15)13-5-3-1-2-4-6-14/h14H,1-7H2,(H,13,15).
What are the key properties of 2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate?
2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate has a molecular weight of 243.22 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate is sourced from PubChem (CID 103918683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).