1-[4-(5-chlorothiophen-3-yl)-2,3-difluorophenyl]ethane-1,2-diamine

C12H11ClF2N2S — CID 156902180

IUPAC1-[4-(5-chlorothiophen-3-yl)-2,3-difluorophenyl]ethane-1,2-diamine
SMILESNCC(N)c1ccc(-c2csc(Cl)c2)c(F)c1F
InChIInChI=1S/C12H11ClF2N2S/c13-10-3-6(5-18-10)7-1-2-8(9(17)4-16)12(15)11(7)14/h1-3,5,9H,4,16-17H2
InChIKeyYTHMCAVEABACRQ-UHFFFAOYSA-N
MW288.75 g/mol
LogP3.31
Rot. Bonds3

About 1-[4-(5-chlorothiophen-3-yl)-2,3-difluorophenyl]ethane-1,2-diamine

1-[4-(5-chlorothiophen-3-yl)-2,3-difluorophenyl]ethane-1,2-diamine (PubChem CID 156902180) has the molecular formula C12H11ClF2N2S and a molecular weight of 288.75 g/mol. Its IUPAC name is 1-[4-(5-chlorothiophen-3-yl)-2,3-difluorophenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(5-chlorothiophen-3-yl)-2,3-difluorophenyl]ethane-1,2-diamine
PubChem CID156902180
Molecular FormulaC12H11ClF2N2S
Molecular Weight288.75 g/mol
Exact Mass288.03
IUPAC Name1-[4-(5-chlorothiophen-3-yl)-2,3-difluorophenyl]ethane-1,2-diamine
SMILESNCC(N)c1ccc(-c2csc(Cl)c2)c(F)c1F
InChIInChI=1S/C12H11ClF2N2S/c13-10-3-6(5-18-10)7-1-2-8(9(17)4-16)12(15)11(7)14/h1-3,5,9H,4,16-17H2
InChIKeyYTHMCAVEABACRQ-UHFFFAOYSA-N
XLogP3.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Fluorophenyl)(thiophen-2-yl)methanamine
CID 4962648
(4-Chlorophenyl)(thiophen-2-yl)methanamine
CID 22506646
2-(3-Chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3061996
2-(4-Chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062000
2-(2,6-Dichlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062007
2-(3-Fluorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062014
2-Thenylamine, alpha-(p-fluorobenzyl)-, hydrochloride
CID 3062018
(4-Chlorophenyl)(thiophen-2-yl)methanamine hydrochloride
CID 42950978
[3-Chloro-4-(thiophen-2-yl)phenyl]methanamine
CID 108393143
(4-Chlorophenyl)(thiophen-3-yl)methanamine hydrochloride
CID 45792317
(4-Fluorophenyl)(thiophen-2-yl)methanamine hydrochloride
CID 132327483
2-(4-Fluorophenyl)-1-thiophen-2-ylethanamine
CID 3062019

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chlorothiophen-3-yl)-2,3-difluorophenyl]ethane-1,2-diamine?
The IUPAC name of 1-[4-(5-chlorothiophen-3-yl)-2,3-difluorophenyl]ethane-1,2-diamine (CID 156902180) is 1-[4-(5-chlorothiophen-3-yl)-2,3-difluorophenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[4-(5-chlorothiophen-3-yl)-2,3-difluorophenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[4-(5-chlorothiophen-3-yl)-2,3-difluorophenyl]ethane-1,2-diamine is NCC(N)c1ccc(-c2csc(Cl)c2)c(F)c1F.
What is the InChIKey of 1-[4-(5-chlorothiophen-3-yl)-2,3-difluorophenyl]ethane-1,2-diamine?
The InChIKey is YTHMCAVEABACRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2S/c13-10-3-6(5-18-10)7-1-2-8(9(17)4-16)12(15)11(7)14/h1-3,5,9H,4,16-17H2.
What are the key properties of 1-[4-(5-chlorothiophen-3-yl)-2,3-difluorophenyl]ethane-1,2-diamine?
1-[4-(5-chlorothiophen-3-yl)-2,3-difluorophenyl]ethane-1,2-diamine has a molecular weight of 288.75 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chlorothiophen-3-yl)-2,3-difluorophenyl]ethane-1,2-diamine is sourced from PubChem (CID 156902180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).