N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine;hydrochloride

C7H13ClF3N — CID 91647809

IUPACN-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCC(NCC(F)(F)F)C1CC1.Cl
InChIInChI=1S/C7H12F3N.ClH/c1-5(6-2-3-6)11-4-7(8,9)10;/h5-6,11H,2-4H2,1H3;1H
InChIKeyPVFLJEGVMBCEBP-UHFFFAOYSA-N
MW203.63 g/mol
LogP2.36
Rot. Bonds3

About N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine;hydrochloride

N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 91647809) has the molecular formula C7H13ClF3N and a molecular weight of 203.63 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID91647809
Molecular FormulaC7H13ClF3N
Molecular Weight203.63 g/mol
Exact Mass203.07
IUPAC NameN-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCC(NCC(F)(F)F)C1CC1.Cl
InChIInChI=1S/C7H12F3N.ClH/c1-5(6-2-3-6)11-4-7(8,9)10;/h5-6,11H,2-4H2,1H3;1H
InChIKeyPVFLJEGVMBCEBP-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine;hydrochloride (CID 91647809) is N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine;hydrochloride is CC(NCC(F)(F)F)C1CC1.Cl.
What is the InChIKey of N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is PVFLJEGVMBCEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N.ClH/c1-5(6-2-3-6)11-4-7(8,9)10;/h5-6,11H,2-4H2,1H3;1H.
What are the key properties of N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine;hydrochloride?
N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 91647809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).