3-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol

C12H14F3NO — CID 115045528

IUPAC3-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
SMILESCC1(O)CC(N)(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H14F3NO/c1-10(17)6-11(16,7-10)8-3-2-4-9(5-8)12(13,14)15/h2-5,17H,6-7,16H2,1H3
InChIKeyYKZGZPISHNMTHE-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.40
Rot. Bonds1

About 3-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol

3-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol (PubChem CID 115045528) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
PubChem CID115045528
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name3-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
SMILESCC1(O)CC(N)(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H14F3NO/c1-10(17)6-11(16,7-10)8-3-2-4-9(5-8)12(13,14)15/h2-5,17H,6-7,16H2,1H3
InChIKeyYKZGZPISHNMTHE-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-3-(3-(trifluoromethyl)phenyl)propan-1-ol
CID 2766214
(2R,4S)-4-amino-1,1,1-trifluoro-4-(2-fluorophenyl)pentan-2-ol
CID 71663328
2-Amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 50987515
2-Amino-3,3,3-trifluoro-2-phenylpropan-1-ol
CID 75431955
2-Amino-2-(3-(trifluoromethyl)phenyl)propan-1-ol hydrochloride
CID 77177323
(1s,3s)-3-Amino-3-phenylcyclobutan-1-ol hydrochloride
CID 126838126
3-Amino-3-phenylbutan-1-ol
CID 57627709
(2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol
CID 97300372
(3S)-3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 1487789
4-Amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
CID 19823677
4-Amino-4-(4-fluorophenyl)-2-methylbutan-2-ol
CID 19884930
2-Amino-1,1,1-trifluoro-3-[3-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]butan-2-ol
CID 23089496

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol?
The IUPAC name of 3-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol (CID 115045528) is 3-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol is CC1(O)CC(N)(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol?
The InChIKey is YKZGZPISHNMTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-10(17)6-11(16,7-10)8-3-2-4-9(5-8)12(13,14)15/h2-5,17H,6-7,16H2,1H3.
What are the key properties of 3-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol?
3-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol has a molecular weight of 245.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 115045528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).