N-ethyl-1,1,1-trifluoropropan-2-amine;hydrochloride

C5H11ClF3N — CID 91647604

IUPACN-ethyl-1,1,1-trifluoropropan-2-amine;hydrochloride
SMILESCCNC(C)C(F)(F)F.Cl
InChIInChI=1S/C5H10F3N.ClH/c1-3-9-4(2)5(6,7)8;/h4,9H,3H2,1-2H3;1H
InChIKeyIGBKCLUBSMKTHE-UHFFFAOYSA-N
MW177.60 g/mol
LogP1.97
Rot. Bonds2

About N-ethyl-1,1,1-trifluoropropan-2-amine;hydrochloride

N-ethyl-1,1,1-trifluoropropan-2-amine;hydrochloride (PubChem CID 91647604) has the molecular formula C5H11ClF3N and a molecular weight of 177.60 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoropropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoropropan-2-amine;hydrochloride
PubChem CID91647604
Molecular FormulaC5H11ClF3N
Molecular Weight177.60 g/mol
Exact Mass177.05
IUPAC NameN-ethyl-1,1,1-trifluoropropan-2-amine;hydrochloride
SMILESCCNC(C)C(F)(F)F.Cl
InChIInChI=1S/C5H10F3N.ClH/c1-3-9-4(2)5(6,7)8;/h4,9H,3H2,1-2H3;1H
InChIKeyIGBKCLUBSMKTHE-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.60
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoropropan-2-amine;hydrochloride?
The IUPAC name of N-ethyl-1,1,1-trifluoropropan-2-amine;hydrochloride (CID 91647604) is N-ethyl-1,1,1-trifluoropropan-2-amine;hydrochloride.
What is the SMILES notation for N-ethyl-1,1,1-trifluoropropan-2-amine;hydrochloride?
The canonical SMILES for N-ethyl-1,1,1-trifluoropropan-2-amine;hydrochloride is CCNC(C)C(F)(F)F.Cl.
What is the InChIKey of N-ethyl-1,1,1-trifluoropropan-2-amine;hydrochloride?
The InChIKey is IGBKCLUBSMKTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N.ClH/c1-3-9-4(2)5(6,7)8;/h4,9H,3H2,1-2H3;1H.
What are the key properties of N-ethyl-1,1,1-trifluoropropan-2-amine;hydrochloride?
N-ethyl-1,1,1-trifluoropropan-2-amine;hydrochloride has a molecular weight of 177.60 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoropropan-2-amine;hydrochloride is sourced from PubChem (CID 91647604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).