2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine

C13H16ClF3N2 — CID 116699196

IUPAC2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine
SMILESCC(CN)(Nc1cc(Cl)cc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H16ClF3N2/c1-12(7-18,8-2-3-8)19-11-5-9(13(15,16)17)4-10(14)6-11/h4-6,8,19H,2-3,7,18H2,1H3
InChIKeyJFJPZLIOMUYABN-UHFFFAOYSA-N
MW292.73 g/mol
LogP3.90
Rot. Bonds4

About 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine

2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine (PubChem CID 116699196) has the molecular formula C13H16ClF3N2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine
PubChem CID116699196
Molecular FormulaC13H16ClF3N2
Molecular Weight292.73 g/mol
Exact Mass292.10
IUPAC Name2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine
SMILESCC(CN)(Nc1cc(Cl)cc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H16ClF3N2/c1-12(7-18,8-2-3-8)19-11-5-9(13(15,16)17)4-10(14)6-11/h4-6,8,19H,2-3,7,18H2,1H3
InChIKeyJFJPZLIOMUYABN-UHFFFAOYSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine?
The IUPAC name of 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine (CID 116699196) is 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine?
The canonical SMILES for 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine is CC(CN)(Nc1cc(Cl)cc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine?
The InChIKey is JFJPZLIOMUYABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2/c1-12(7-18,8-2-3-8)19-11-5-9(13(15,16)17)4-10(14)6-11/h4-6,8,19H,2-3,7,18H2,1H3.
What are the key properties of 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine?
2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine has a molecular weight of 292.73 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine is sourced from PubChem (CID 116699196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).