(2S)-2-(trifluoromethyl)-N-[(2S)-4,4,4-trifluoro-3-methylbutan-2-yl]cyclobutan-1-amine

C10H15F6N — CID 162620667

IUPAC(2S)-2-(trifluoromethyl)-N-[(2S)-4,4,4-trifluoro-3-methylbutan-2-yl]cyclobutan-1-amine
SMILESCC([C@H](C)NC1CC[C@@H]1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6N/c1-5(9(11,12)13)6(2)17-8-4-3-7(8)10(14,15)16/h5-8,17H,3-4H2,1-2H3/t5?,6-,7-,8?/m0/s1
InChIKeyFPRUGLGOSHXXFO-BWWPFHEWSA-N
MW263.23 g/mol
LogP3.50
Rot. Bonds3

About (2S)-2-(trifluoromethyl)-N-[(2S)-4,4,4-trifluoro-3-methylbutan-2-yl]cyclobutan-1-amine

(2S)-2-(trifluoromethyl)-N-[(2S)-4,4,4-trifluoro-3-methylbutan-2-yl]cyclobutan-1-amine (PubChem CID 162620667) has the molecular formula C10H15F6N and a molecular weight of 263.23 g/mol. Its IUPAC name is (2S)-2-(trifluoromethyl)-N-[(2S)-4,4,4-trifluoro-3-methylbutan-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name(2S)-2-(trifluoromethyl)-N-[(2S)-4,4,4-trifluoro-3-methylbutan-2-yl]cyclobutan-1-amine
PubChem CID162620667
Molecular FormulaC10H15F6N
Molecular Weight263.23 g/mol
Exact Mass263.11
IUPAC Name(2S)-2-(trifluoromethyl)-N-[(2S)-4,4,4-trifluoro-3-methylbutan-2-yl]cyclobutan-1-amine
SMILESCC([C@H](C)NC1CC[C@@H]1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6N/c1-5(9(11,12)13)6(2)17-8-4-3-7(8)10(14,15)16/h5-8,17H,3-4H2,1-2H3/t5?,6-,7-,8?/m0/s1
InChIKeyFPRUGLGOSHXXFO-BWWPFHEWSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(trifluoromethyl)-N-[(2S)-4,4,4-trifluoro-3-methylbutan-2-yl]cyclobutan-1-amine?
The IUPAC name of (2S)-2-(trifluoromethyl)-N-[(2S)-4,4,4-trifluoro-3-methylbutan-2-yl]cyclobutan-1-amine (CID 162620667) is (2S)-2-(trifluoromethyl)-N-[(2S)-4,4,4-trifluoro-3-methylbutan-2-yl]cyclobutan-1-amine.
What is the SMILES notation for (2S)-2-(trifluoromethyl)-N-[(2S)-4,4,4-trifluoro-3-methylbutan-2-yl]cyclobutan-1-amine?
The canonical SMILES for (2S)-2-(trifluoromethyl)-N-[(2S)-4,4,4-trifluoro-3-methylbutan-2-yl]cyclobutan-1-amine is CC([C@H](C)NC1CC[C@@H]1C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2S)-2-(trifluoromethyl)-N-[(2S)-4,4,4-trifluoro-3-methylbutan-2-yl]cyclobutan-1-amine?
The InChIKey is FPRUGLGOSHXXFO-BWWPFHEWSA-N. The full InChI is InChI=1S/C10H15F6N/c1-5(9(11,12)13)6(2)17-8-4-3-7(8)10(14,15)16/h5-8,17H,3-4H2,1-2H3/t5?,6-,7-,8?/m0/s1.
What are the key properties of (2S)-2-(trifluoromethyl)-N-[(2S)-4,4,4-trifluoro-3-methylbutan-2-yl]cyclobutan-1-amine?
(2S)-2-(trifluoromethyl)-N-[(2S)-4,4,4-trifluoro-3-methylbutan-2-yl]cyclobutan-1-amine has a molecular weight of 263.23 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(trifluoromethyl)-N-[(2S)-4,4,4-trifluoro-3-methylbutan-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 162620667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).