N-(3-fluoropropyl)thiophen-3-amine

C7H10FNS — CID 81105750

IUPACN-(3-fluoropropyl)thiophen-3-amine
SMILESFCCCNc1ccsc1
InChIInChI=1S/C7H10FNS/c8-3-1-4-9-7-2-5-10-6-7/h2,5-6,9H,1,3-4H2
InChIKeyKRSPADDGSGTJQI-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.52
Rot. Bonds4

About N-(3-fluoropropyl)thiophen-3-amine

N-(3-fluoropropyl)thiophen-3-amine (PubChem CID 81105750) has the molecular formula C7H10FNS and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(3-fluoropropyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)thiophen-3-amine
PubChem CID81105750
Molecular FormulaC7H10FNS
Molecular Weight159.23 g/mol
Exact Mass159.05
IUPAC NameN-(3-fluoropropyl)thiophen-3-amine
SMILESFCCCNc1ccsc1
InChIInChI=1S/C7H10FNS/c8-3-1-4-9-7-2-5-10-6-7/h2,5-6,9H,1,3-4H2
InChIKeyKRSPADDGSGTJQI-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)thiophen-3-amine?
The IUPAC name of N-(3-fluoropropyl)thiophen-3-amine (CID 81105750) is N-(3-fluoropropyl)thiophen-3-amine.
What is the SMILES notation for N-(3-fluoropropyl)thiophen-3-amine?
The canonical SMILES for N-(3-fluoropropyl)thiophen-3-amine is FCCCNc1ccsc1.
What is the InChIKey of N-(3-fluoropropyl)thiophen-3-amine?
The InChIKey is KRSPADDGSGTJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNS/c8-3-1-4-9-7-2-5-10-6-7/h2,5-6,9H,1,3-4H2.
What are the key properties of N-(3-fluoropropyl)thiophen-3-amine?
N-(3-fluoropropyl)thiophen-3-amine has a molecular weight of 159.23 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)thiophen-3-amine is sourced from PubChem (CID 81105750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).