1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H13F3N2 — CID 61150371

IUPAC1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNC(CNCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)7-15-6-9(14)8-4-2-1-3-5-8/h1-5,9,15H,6-7,14H2
InChIKeyQBPWEOBXONNBMD-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.84
Rot. Bonds4

About 1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 61150371) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID61150371
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNC(CNCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)7-15-6-9(14)8-4-2-1-3-5-8/h1-5,9,15H,6-7,14H2
InChIKeyQBPWEOBXONNBMD-UHFFFAOYSA-N
XLogP1.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 121446388
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1-phenyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine
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(2-amino-2-phenylethyl)carbamic acid
CID 66941802
2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine
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CID 55092267
N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine
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N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43426280
(1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine
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1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 61150371) is 1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NC(CNCC(F)(F)F)c1ccccc1.
What is the InChIKey of 1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is QBPWEOBXONNBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c11-10(12,13)7-15-6-9(14)8-4-2-1-3-5-8/h1-5,9,15H,6-7,14H2.
What are the key properties of 1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 218.22 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 61150371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).