3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine

C10H10F5N — CID 115042991

IUPAC3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine
SMILESNCCC(F)(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C10H10F5N/c11-8-3-1-7(2-4-8)9(12,5-6-16)10(13,14)15/h1-4H,5-6,16H2
InChIKeyXANMITWAPBNYEY-UHFFFAOYSA-N
MW239.19 g/mol
LogP2.90
Rot. Bonds3

About 3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine

3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine (PubChem CID 115042991) has the molecular formula C10H10F5N and a molecular weight of 239.19 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine
PubChem CID115042991
Molecular FormulaC10H10F5N
Molecular Weight239.19 g/mol
Exact Mass239.07
IUPAC Name3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine
SMILESNCCC(F)(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C10H10F5N/c11-8-3-1-7(2-4-8)9(12,5-6-16)10(13,14)15/h1-4H,5-6,16H2
InChIKeyXANMITWAPBNYEY-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine?
The IUPAC name of 3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine (CID 115042991) is 3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine.
What is the SMILES notation for 3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine?
The canonical SMILES for 3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine is NCCC(F)(c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine?
The InChIKey is XANMITWAPBNYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N/c11-8-3-1-7(2-4-8)9(12,5-6-16)10(13,14)15/h1-4H,5-6,16H2.
What are the key properties of 3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine?
3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine has a molecular weight of 239.19 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine is sourced from PubChem (CID 115042991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).