N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate

C8H18F3NO3 — CID 175431120

IUPACN,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate
SMILESCCN(CC)CC.O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N.C2HF3O2.H2O/c1-4-7(5-2)6-3;3-2(4,5)1(6)7;/h4-6H2,1-3H3;(H,6,7);1H2
InChIKeySNHOYOFKGGGBDV-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.16
Rot. Bonds3

About N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate

N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate (PubChem CID 175431120) has the molecular formula C8H18F3NO3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate.

Molecular Properties

Compound NameN,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate
PubChem CID175431120
Molecular FormulaC8H18F3NO3
Molecular Weight233.23 g/mol
Exact Mass233.12
IUPAC NameN,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate
SMILESCCN(CC)CC.O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N.C2HF3O2.H2O/c1-4-7(5-2)6-3;3-2(4,5)1(6)7;/h4-6H2,1-3H3;(H,6,7);1H2
InChIKeySNHOYOFKGGGBDV-UHFFFAOYSA-N
XLogP1.16
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
CID 118626568
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CID 158033320
bis(N,N-diethylethanamine);oxalic acid
CID 71339505
copper;2,2,2-trifluoroacetic acid;tetrahydrate
CID 175128506
pentane;2,2,2-trifluoroacetic acid
CID 161039566
N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 86184993
acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244
N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride
CID 159443818
N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid
CID 174488749
bis(propan-2-one);2,2,2-trifluoroacetic acid
CID 175331855
acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87799840

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate?
The IUPAC name of N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate (CID 175431120) is N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate.
What is the SMILES notation for N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate?
The canonical SMILES for N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate is CCN(CC)CC.O.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate?
The InChIKey is SNHOYOFKGGGBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2HF3O2.H2O/c1-4-7(5-2)6-3;3-2(4,5)1(6)7;/h4-6H2,1-3H3;(H,6,7);1H2.
What are the key properties of N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate?
N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate has a molecular weight of 233.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate is sourced from PubChem (CID 175431120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).