4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline

C14H17F4N — CID 103561769

IUPAC4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline
SMILESCC(C)C1CC(Nc2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F4N/c1-8(2)9-5-11(6-9)19-10-3-4-13(15)12(7-10)14(16,17)18/h3-4,7-9,11,19H,5-6H2,1-2H3
InChIKeyROLYMXITDPMEOP-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.69
Rot. Bonds3

About 4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline

4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline (PubChem CID 103561769) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline
PubChem CID103561769
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline
SMILESCC(C)C1CC(Nc2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F4N/c1-8(2)9-5-11(6-9)19-10-3-4-13(15)12(7-10)14(16,17)18/h3-4,7-9,11,19H,5-6H2,1-2H3
InChIKeyROLYMXITDPMEOP-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline (CID 103561769) is 4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline is CC(C)C1CC(Nc2ccc(F)c(C(F)(F)F)c2)C1.
What is the InChIKey of 4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline?
The InChIKey is ROLYMXITDPMEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-8(2)9-5-11(6-9)19-10-3-4-13(15)12(7-10)14(16,17)18/h3-4,7-9,11,19H,5-6H2,1-2H3.
What are the key properties of 4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline?
4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline has a molecular weight of 275.29 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 103561769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).