N-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine

C10H10BrF4NS — CID 172563115

IUPACN-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine
SMILESFc1c(Br)csc1C(CC(F)(F)F)NC1CC1
InChIInChI=1S/C10H10BrF4NS/c11-6-4-17-9(8(6)12)7(3-10(13,14)15)16-5-1-2-5/h4-5,7,16H,1-3H2
InChIKeyBIAFLJRILISFPN-UHFFFAOYSA-N
MW332.16 g/mol
LogP4.40
Rot. Bonds4

About N-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine

N-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine (PubChem CID 172563115) has the molecular formula C10H10BrF4NS and a molecular weight of 332.16 g/mol. Its IUPAC name is N-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine
PubChem CID172563115
Molecular FormulaC10H10BrF4NS
Molecular Weight332.16 g/mol
Exact Mass330.97
IUPAC NameN-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine
SMILESFc1c(Br)csc1C(CC(F)(F)F)NC1CC1
InChIInChI=1S/C10H10BrF4NS/c11-6-4-17-9(8(6)12)7(3-10(13,14)15)16-5-1-2-5/h4-5,7,16H,1-3H2
InChIKeyBIAFLJRILISFPN-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine?
The IUPAC name of N-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine (CID 172563115) is N-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine.
What is the SMILES notation for N-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine?
The canonical SMILES for N-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine is Fc1c(Br)csc1C(CC(F)(F)F)NC1CC1.
What is the InChIKey of N-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine?
The InChIKey is BIAFLJRILISFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF4NS/c11-6-4-17-9(8(6)12)7(3-10(13,14)15)16-5-1-2-5/h4-5,7,16H,1-3H2.
What are the key properties of N-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine?
N-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine has a molecular weight of 332.16 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-3-fluorothiophen-2-yl)-3,3,3-trifluoropropyl]cyclopropanamine is sourced from PubChem (CID 172563115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).