N-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-methylfuran-2-yl)ethane-1,2-diamine

C14H14ClF3N2O — CID 116699209

IUPACN-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-methylfuran-2-yl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)Nc2cc(Cl)cc(C(F)(F)F)c2)o1
InChIInChI=1S/C14H14ClF3N2O/c1-8-2-3-13(21-8)12(7-19)20-11-5-9(14(16,17)18)4-10(15)6-11/h2-6,12,20H,7,19H2,1H3
InChIKeyHNIZMXYHJFDXNU-UHFFFAOYSA-N
MW318.73 g/mol
LogP4.37
Rot. Bonds4

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

N-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-methylfuran-2-yl)ethane-1,2-diamine (PubChem CID 116699209) has the molecular formula C14H14ClF3N2O and a molecular weight of 318.73 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-methylfuran-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-methylfuran-2-yl)ethane-1,2-diamine
PubChem CID116699209
Molecular FormulaC14H14ClF3N2O
Molecular Weight318.73 g/mol
Exact Mass318.07
IUPAC NameN-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-methylfuran-2-yl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)Nc2cc(Cl)cc(C(F)(F)F)c2)o1
InChIInChI=1S/C14H14ClF3N2O/c1-8-2-3-13(21-8)12(7-19)20-11-5-9(14(16,17)18)4-10(15)6-11/h2-6,12,20H,7,19H2,1H3
InChIKeyHNIZMXYHJFDXNU-UHFFFAOYSA-N
XLogP4.37
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-methylfuran-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-methylfuran-2-yl)ethane-1,2-diamine (CID 116699209) is N-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-methylfuran-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-methylfuran-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-methylfuran-2-yl)ethane-1,2-diamine is Cc1ccc(C(CN)Nc2cc(Cl)cc(C(F)(F)F)c2)o1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-methylfuran-2-yl)ethane-1,2-diamine?
The InChIKey is HNIZMXYHJFDXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O/c1-8-2-3-13(21-8)12(7-19)20-11-5-9(14(16,17)18)4-10(15)6-11/h2-6,12,20H,7,19H2,1H3.
What are the key properties of N-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-methylfuran-2-yl)ethane-1,2-diamine?
N-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-methylfuran-2-yl)ethane-1,2-diamine has a molecular weight of 318.73 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-methylfuran-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 116699209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).