N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine

C14H10F3NO2 — CID 171115396

IUPACN-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine
SMILESFC(F)(F)c1ccc(Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)9-1-3-10(4-2-9)18-11-5-6-12-13(7-11)20-8-19-12/h1-7,18H,8H2
InChIKeyQBZXENKOPFIOOP-UHFFFAOYSA-N
MW281.23 g/mol
LogP4.18
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine

N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine (PubChem CID 171115396) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine
PubChem CID171115396
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC NameN-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine
SMILESFC(F)(F)c1ccc(Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)9-1-3-10(4-2-9)18-11-5-6-12-13(7-11)20-8-19-12/h1-7,18H,8H2
InChIKeyQBZXENKOPFIOOP-UHFFFAOYSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(1,3-benzodioxol-5-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542206
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide
CID 22245929
1-N-(1,3-benzodioxol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143748
2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110860892
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
(E)-1-(1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one
CID 51045627
1,3-benzodioxol-5-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamodithioate
CID 3542904
N-(1,3-benzodioxol-5-yl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766946
3-(1,3-benzodioxol-5-ylamino)phenol
CID 82537338
5-N-(1,3-benzodioxol-5-ylmethyl)-3-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112951395
5-(1,1-difluoroethyl)-1,3-benzodioxole
CID 116841522
4-N-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747183

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine (CID 171115396) is N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine is FC(F)(F)c1ccc(Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine?
The InChIKey is QBZXENKOPFIOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)9-1-3-10(4-2-9)18-11-5-6-12-13(7-11)20-8-19-12/h1-7,18H,8H2.
What are the key properties of N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine?
N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine has a molecular weight of 281.23 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine is sourced from PubChem (CID 171115396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).