toluene;6,6,6-trifluorohexane-1,2-diamine

C13H21F3N2 — CID 143077425

IUPACtoluene;6,6,6-trifluorohexane-1,2-diamine
SMILESCc1ccccc1.NCC(N)CCCC(F)(F)F
InChIInChI=1S/C7H8.C6H13F3N2/c1-7-5-3-2-4-6-7;7-6(8,9)3-1-2-5(11)4-10/h2-6H,1H3;5H,1-4,10-11H2
InChIKeyFEEROILQNINQBU-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.00
Rot. Bonds4

About toluene;6,6,6-trifluorohexane-1,2-diamine

toluene;6,6,6-trifluorohexane-1,2-diamine (PubChem CID 143077425) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is toluene;6,6,6-trifluorohexane-1,2-diamine.

Molecular Properties

Compound Nametoluene;6,6,6-trifluorohexane-1,2-diamine
PubChem CID143077425
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Nametoluene;6,6,6-trifluorohexane-1,2-diamine
SMILESCc1ccccc1.NCC(N)CCCC(F)(F)F
InChIInChI=1S/C7H8.C6H13F3N2/c1-7-5-3-2-4-6-7;7-6(8,9)3-1-2-5(11)4-10/h2-6H,1H3;5H,1-4,10-11H2
InChIKeyFEEROILQNINQBU-UHFFFAOYSA-N
XLogP3.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine
CID 113326992
3-fluoropropane-1,2-diamine;toluene
CID 143077433
1-(3,5-dimethylphenyl)-6,6,6-trifluorohexan-2-amine
CID 115516607
6,6,6-trifluoro-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 113327090
5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 115516744
toluene;2,2,2-trifluoroethanol
CID 67743203
5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 105024104
1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024239
1-aminopropan-2-ol;toluene
CID 89389422
1-(3,4-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105023906
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024260
bromo(trifluoro)methane;toluene
CID 162166956

Frequently Asked Questions

What is the IUPAC name of toluene;6,6,6-trifluorohexane-1,2-diamine?
The IUPAC name of toluene;6,6,6-trifluorohexane-1,2-diamine (CID 143077425) is toluene;6,6,6-trifluorohexane-1,2-diamine.
What is the SMILES notation for toluene;6,6,6-trifluorohexane-1,2-diamine?
The canonical SMILES for toluene;6,6,6-trifluorohexane-1,2-diamine is Cc1ccccc1.NCC(N)CCCC(F)(F)F.
What is the InChIKey of toluene;6,6,6-trifluorohexane-1,2-diamine?
The InChIKey is FEEROILQNINQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H13F3N2/c1-7-5-3-2-4-6-7;7-6(8,9)3-1-2-5(11)4-10/h2-6H,1H3;5H,1-4,10-11H2.
What are the key properties of toluene;6,6,6-trifluorohexane-1,2-diamine?
toluene;6,6,6-trifluorohexane-1,2-diamine has a molecular weight of 262.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for toluene;6,6,6-trifluorohexane-1,2-diamine is sourced from PubChem (CID 143077425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).