2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine

C10H19F3N2 — CID 162594397

IUPAC2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine
SMILESC=C(CN)NCC(F)(F)C(F)(CC)CC
InChIInChI=1S/C10H19F3N2/c1-4-9(11,5-2)10(12,13)7-15-8(3)6-14/h15H,3-7,14H2,1-2H3
InChIKeyPNFWQBPDLAQNGT-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.21
Rot. Bonds7

About 2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine

2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine (PubChem CID 162594397) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine
PubChem CID162594397
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine
SMILESC=C(CN)NCC(F)(F)C(F)(CC)CC
InChIInChI=1S/C10H19F3N2/c1-4-9(11,5-2)10(12,13)7-15-8(3)6-14/h15H,3-7,14H2,1-2H3
InChIKeyPNFWQBPDLAQNGT-UHFFFAOYSA-N
XLogP2.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine?
The IUPAC name of 2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine (CID 162594397) is 2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine.
What is the SMILES notation for 2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine?
The canonical SMILES for 2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine is C=C(CN)NCC(F)(F)C(F)(CC)CC.
What is the InChIKey of 2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine?
The InChIKey is PNFWQBPDLAQNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-4-9(11,5-2)10(12,13)7-15-8(3)6-14/h15H,3-7,14H2,1-2H3.
What are the key properties of 2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine?
2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine is sourced from PubChem (CID 162594397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).