N'-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]ethane-1,2-diamine

C8H15F3N2O — CID 54594390

IUPACN'-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
SMILESNCCNC(C1CCCO1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7(13-4-3-12)6-2-1-5-14-6/h6-7,13H,1-5,12H2
InChIKeyALEQPWLRXBDCMJ-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.64
Rot. Bonds4

About N'-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]ethane-1,2-diamine

N'-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 54594390) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is N'-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
PubChem CID54594390
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC NameN'-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
SMILESNCCNC(C1CCCO1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7(13-4-3-12)6-2-1-5-14-6/h6-7,13H,1-5,12H2
InChIKeyALEQPWLRXBDCMJ-UHFFFAOYSA-N
XLogP0.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]ethane-1,2-diamine (CID 54594390) is N'-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]ethane-1,2-diamine is NCCNC(C1CCCO1)C(F)(F)F.
What is the InChIKey of N'-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is ALEQPWLRXBDCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)7(13-4-3-12)6-2-1-5-14-6/h6-7,13H,1-5,12H2.
What are the key properties of N'-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
N'-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 212.21 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 54594390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).