3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine

C13H14F5N — CID 103529409

IUPAC3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCC(F)(F)C(F)F)C2)cc1
InChIInChI=1S/C13H14F5N/c14-10-3-1-8(2-4-10)9-5-11(6-9)19-7-13(17,18)12(15)16/h1-4,9,11-12,19H,5-7H2
InChIKeyUDPVQKUYIMZGRN-UHFFFAOYSA-N
MW279.25 g/mol
LogP3.56
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine

3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine (PubChem CID 103529409) has the molecular formula C13H14F5N and a molecular weight of 279.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
PubChem CID103529409
Molecular FormulaC13H14F5N
Molecular Weight279.25 g/mol
Exact Mass279.10
IUPAC Name3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCC(F)(F)C(F)F)C2)cc1
InChIInChI=1S/C13H14F5N/c14-10-3-1-8(2-4-10)9-5-11(6-9)19-7-13(17,18)12(15)16/h1-4,9,11-12,19H,5-7H2
InChIKeyUDPVQKUYIMZGRN-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine (CID 103529409) is 3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine is Fc1ccc(C2CC(NCC(F)(F)C(F)F)C2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine?
The InChIKey is UDPVQKUYIMZGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5N/c14-10-3-1-8(2-4-10)9-5-11(6-9)19-7-13(17,18)12(15)16/h1-4,9,11-12,19H,5-7H2.
What are the key properties of 3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine?
3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine has a molecular weight of 279.25 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine is sourced from PubChem (CID 103529409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).