N-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine

C11H21F3N2 — CID 118151579

IUPACN-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine
SMILESC=C(NCCNCCCCCC)C(F)(F)F
InChIInChI=1S/C11H21F3N2/c1-3-4-5-6-7-15-8-9-16-10(2)11(12,13)14/h15-16H,2-9H2,1H3
InChIKeyHJGLTEXBUUQDTQ-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.82
Rot. Bonds9

About N-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine

N-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine (PubChem CID 118151579) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine
PubChem CID118151579
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine
SMILESC=C(NCCNCCCCCC)C(F)(F)F
InChIInChI=1S/C11H21F3N2/c1-3-4-5-6-7-15-8-9-16-10(2)11(12,13)14/h15-16H,2-9H2,1H3
InChIKeyHJGLTEXBUUQDTQ-UHFFFAOYSA-N
XLogP2.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,1,1-trifluoro-N-methyl-N-(1-pyrrolidin-2-ylethyl)but-2-en-2-amine
CID 167116215
5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine;ethane
CID 168892541
4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine
CID 144884908
2-N-(3-ethyl-2,2,3-trifluoropentyl)prop-2-ene-1,2-diamine
CID 162594397
5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine
CID 168892542

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine?
The IUPAC name of N-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine (CID 118151579) is N-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine is C=C(NCCNCCCCCC)C(F)(F)F.
What is the InChIKey of N-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine?
The InChIKey is HJGLTEXBUUQDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-3-4-5-6-7-15-8-9-16-10(2)11(12,13)14/h15-16H,2-9H2,1H3.
What are the key properties of N-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine?
N-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine has a molecular weight of 238.30 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 118151579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).