ethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine

C11H17F3N2 — CID 143325756

IUPACethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine
SMILESCC.Cc1ccc(C(N)(N)C(F)(F)F)cc1
InChIInChI=1S/C9H11F3N2.C2H6/c1-6-2-4-7(5-3-6)8(13,14)9(10,11)12;1-2/h2-5H,13-14H2,1H3;1-2H3
InChIKeyPQJKWYCMEGFKHY-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.65
Rot. Bonds1

About ethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine

ethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine (PubChem CID 143325756) has the molecular formula C11H17F3N2 and a molecular weight of 234.27 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine
PubChem CID143325756
Molecular FormulaC11H17F3N2
Molecular Weight234.27 g/mol
Exact Mass234.13
IUPAC Nameethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine
SMILESCC.Cc1ccc(C(N)(N)C(F)(F)F)cc1
InChIInChI=1S/C9H11F3N2.C2H6/c1-6-2-4-7(5-3-6)8(13,14)9(10,11)12;1-2/h2-5H,13-14H2,1H3;1-2H3
InChIKeyPQJKWYCMEGFKHY-UHFFFAOYSA-N
XLogP2.65
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene
CID 157463661
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 14938913
2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine
CID 71217902
1-[dichloro(fluoro)methyl]-4-methylbenzene
CID 70232782
bromo-(4-methylphenyl)methanediamine
CID 22286698
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1-methyl-4-[2,2,2-trifluoro-1-iodo-1-(4-methylphenyl)ethyl]benzene
CID 144855908
2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride
CID 90675046
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867
[difluoro-(4-methylphenyl)methyl]thallium
CID 153168176

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine?
The IUPAC name of ethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine (CID 143325756) is ethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine.
What is the SMILES notation for ethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine?
The canonical SMILES for ethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine is CC.Cc1ccc(C(N)(N)C(F)(F)F)cc1.
What is the InChIKey of ethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine?
The InChIKey is PQJKWYCMEGFKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2.C2H6/c1-6-2-4-7(5-3-6)8(13,14)9(10,11)12;1-2/h2-5H,13-14H2,1H3;1-2H3.
What are the key properties of ethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine?
ethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine has a molecular weight of 234.27 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine is sourced from PubChem (CID 143325756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).