N-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine

C9H10ClF4NS — CID 106289348

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCC(NCC(F)(F)C(F)F)c1csc(Cl)c1
InChIInChI=1S/C9H10ClF4NS/c1-5(6-2-7(10)16-3-6)15-4-9(13,14)8(11)12/h2-3,5,8,15H,4H2,1H3
InChIKeyFPPTWOVPWONAPL-UHFFFAOYSA-N
MW275.70 g/mol
LogP3.95
Rot. Bonds5

About N-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 106289348) has the molecular formula C9H10ClF4NS and a molecular weight of 275.70 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID106289348
Molecular FormulaC9H10ClF4NS
Molecular Weight275.70 g/mol
Exact Mass275.02
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCC(NCC(F)(F)C(F)F)c1csc(Cl)c1
InChIInChI=1S/C9H10ClF4NS/c1-5(6-2-7(10)16-3-6)15-4-9(13,14)8(11)12/h2-3,5,8,15H,4H2,1H3
InChIKeyFPPTWOVPWONAPL-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 106289348) is N-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine is CC(NCC(F)(F)C(F)F)c1csc(Cl)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is FPPTWOVPWONAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF4NS/c1-5(6-2-7(10)16-3-6)15-4-9(13,14)8(11)12/h2-3,5,8,15H,4H2,1H3.
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 275.70 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-3-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 106289348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).