[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine

C14H13ClFNS — CID 54955892

IUPAC[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine
SMILESNC(c1ccc(-c2ccc(Cl)c(F)c2)s1)C1CC1
InChIInChI=1S/C14H13ClFNS/c15-10-4-3-9(7-11(10)16)12-5-6-13(18-12)14(17)8-1-2-8/h3-8,14H,1-2,17H2
InChIKeyGISMJLMRXVRCBI-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.62
Rot. Bonds3

About [5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine

[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine (PubChem CID 54955892) has the molecular formula C14H13ClFNS and a molecular weight of 281.78 g/mol. Its IUPAC name is [5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine.

Molecular Properties

Compound Name[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine
PubChem CID54955892
Molecular FormulaC14H13ClFNS
Molecular Weight281.78 g/mol
Exact Mass281.04
IUPAC Name[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine
SMILESNC(c1ccc(-c2ccc(Cl)c(F)c2)s1)C1CC1
InChIInChI=1S/C14H13ClFNS/c15-10-4-3-9(7-11(10)16)12-5-6-13(18-12)14(17)8-1-2-8/h3-8,14H,1-2,17H2
InChIKeyGISMJLMRXVRCBI-UHFFFAOYSA-N
XLogP4.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine?
The IUPAC name of [5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine (CID 54955892) is [5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine.
What is the SMILES notation for [5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine?
The canonical SMILES for [5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine is NC(c1ccc(-c2ccc(Cl)c(F)c2)s1)C1CC1.
What is the InChIKey of [5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine?
The InChIKey is GISMJLMRXVRCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNS/c15-10-4-3-9(7-11(10)16)12-5-6-13(18-12)14(17)8-1-2-8/h3-8,14H,1-2,17H2.
What are the key properties of [5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine?
[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine has a molecular weight of 281.78 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine is sourced from PubChem (CID 54955892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).