N-(1,1-difluoropropan-2-yl)-2-(triazol-1-yl)aniline

C11H12F2N4 — CID 102868313

IUPACN-(1,1-difluoropropan-2-yl)-2-(triazol-1-yl)aniline
SMILESCC(Nc1ccccc1-n1ccnn1)C(F)F
InChIInChI=1S/C11H12F2N4/c1-8(11(12)13)15-9-4-2-3-5-10(9)17-7-6-14-16-17/h2-8,11,15H,1H3
InChIKeyICIWRPQYWJGUTN-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.33
Rot. Bonds4

About N-(1,1-difluoropropan-2-yl)-2-(triazol-1-yl)aniline

N-(1,1-difluoropropan-2-yl)-2-(triazol-1-yl)aniline (PubChem CID 102868313) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-2-(triazol-1-yl)aniline.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-2-(triazol-1-yl)aniline
PubChem CID102868313
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-(1,1-difluoropropan-2-yl)-2-(triazol-1-yl)aniline
SMILESCC(Nc1ccccc1-n1ccnn1)C(F)F
InChIInChI=1S/C11H12F2N4/c1-8(11(12)13)15-9-4-2-3-5-10(9)17-7-6-14-16-17/h2-8,11,15H,1H3
InChIKeyICIWRPQYWJGUTN-UHFFFAOYSA-N
XLogP2.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-1H-1,2,3-triazole
CID 270009
(1-phenyl-1H-1,2,3-triazol-4-yl)methanamine
CID 18526002
1-phenyl-1H-1,2,3-triazol-4-amine
CID 22042185
1-(4-Fluorophenyl)-1H-1,2,3-triazole
CID 13106111
4-(5-Methyl-1H-1,2,3-triazol-1-yl)aniline
CID 13031172
2-(1H-1,2,3-Triazol-1-yl)aniline
CID 16775070
4-ethyl-1-phenyl-1H-1,2,3-triazole
CID 53244246
3-(1H-1,2,3-triazol-1-yl)aniline
CID 59199898
4-iodo-1-phenyl-1H-1,2,3-triazole
CID 68429494
N-((1-(3,4-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)methyl)cyclopentanamine
CID 45269349
1-(3-Fluorophenyl)triazole
CID 13106110
1H-1,2,3-Triazole, 4-methyl-1-phenyl-
CID 281035

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-2-(triazol-1-yl)aniline?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-2-(triazol-1-yl)aniline (CID 102868313) is N-(1,1-difluoropropan-2-yl)-2-(triazol-1-yl)aniline.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-2-(triazol-1-yl)aniline?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-2-(triazol-1-yl)aniline is CC(Nc1ccccc1-n1ccnn1)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-2-(triazol-1-yl)aniline?
The InChIKey is ICIWRPQYWJGUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-8(11(12)13)15-9-4-2-3-5-10(9)17-7-6-14-16-17/h2-8,11,15H,1H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-2-(triazol-1-yl)aniline?
N-(1,1-difluoropropan-2-yl)-2-(triazol-1-yl)aniline has a molecular weight of 238.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-2-(triazol-1-yl)aniline is sourced from PubChem (CID 102868313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).