(2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine

C8H13F3N2 — CID 163933764

IUPAC(2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine
SMILESCC/C=C(\N=C\[C@@H](C)N)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-3-4-7(8(9,10)11)13-5-6(2)12/h4-6H,3,12H2,1-2H3/b7-4-,13-5+/t6-/m1/s1
InChIKeyRKYACCVVYYQFRA-YLZTWHQMSA-N
MW194.20 g/mol
LogP2.26
Rot. Bonds3

About (2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine

(2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine (PubChem CID 163933764) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is (2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine
PubChem CID163933764
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name(2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine
SMILESCC/C=C(\N=C\[C@@H](C)N)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-3-4-7(8(9,10)11)13-5-6(2)12/h4-6H,3,12H2,1-2H3/b7-4-,13-5+/t6-/m1/s1
InChIKeyRKYACCVVYYQFRA-YLZTWHQMSA-N
XLogP2.26
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine?
The IUPAC name of (2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine (CID 163933764) is (2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine.
What is the SMILES notation for (2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine?
The canonical SMILES for (2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine is CC/C=C(\N=C\[C@@H](C)N)C(F)(F)F.
What is the InChIKey of (2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine?
The InChIKey is RKYACCVVYYQFRA-YLZTWHQMSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-3-4-7(8(9,10)11)13-5-6(2)12/h4-6H,3,12H2,1-2H3/b7-4-,13-5+/t6-/m1/s1.
What are the key properties of (2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine?
(2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine has a molecular weight of 194.20 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine is sourced from PubChem (CID 163933764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).