butan-2-amine;3-(trifluoromethyl)phenol

C11H16F3NO — CID 160848796

IUPACbutan-2-amine;3-(trifluoromethyl)phenol
SMILESCCC(C)N.Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C7H5F3O.C4H11N/c8-7(9,10)5-2-1-3-6(11)4-5;1-3-4(2)5/h1-4,11H;4H,3,5H2,1-2H3
InChIKeySIZJZYAZOZQNEX-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.15
Rot. Bonds1

About butan-2-amine;3-(trifluoromethyl)phenol

butan-2-amine;3-(trifluoromethyl)phenol (PubChem CID 160848796) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is butan-2-amine;3-(trifluoromethyl)phenol.

Molecular Properties

Compound Namebutan-2-amine;3-(trifluoromethyl)phenol
PubChem CID160848796
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Namebutan-2-amine;3-(trifluoromethyl)phenol
SMILESCCC(C)N.Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C7H5F3O.C4H11N/c8-7(9,10)5-2-1-3-6(11)4-5;1-3-4(2)5/h1-4,11H;4H,3,5H2,1-2H3
InChIKeySIZJZYAZOZQNEX-UHFFFAOYSA-N
XLogP3.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(trifluoromethyl)phenol;hydrochloride
CID 175833042
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CID 131614389
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CID 141004875
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
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CID 81463154
3-(2-amino-1,1-difluoro-2-methylpropyl)phenol
CID 105453347
3-amino-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 57455752
bis(2,7-ditert-butyl-9H-fluoren-9-ide);bis(3-(trifluoromethyl)phenol);zirconium(2+)
CID 22714801
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol
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2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 24706834

Frequently Asked Questions

What is the IUPAC name of butan-2-amine;3-(trifluoromethyl)phenol?
The IUPAC name of butan-2-amine;3-(trifluoromethyl)phenol (CID 160848796) is butan-2-amine;3-(trifluoromethyl)phenol.
What is the SMILES notation for butan-2-amine;3-(trifluoromethyl)phenol?
The canonical SMILES for butan-2-amine;3-(trifluoromethyl)phenol is CCC(C)N.Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of butan-2-amine;3-(trifluoromethyl)phenol?
The InChIKey is SIZJZYAZOZQNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O.C4H11N/c8-7(9,10)5-2-1-3-6(11)4-5;1-3-4(2)5/h1-4,11H;4H,3,5H2,1-2H3.
What are the key properties of butan-2-amine;3-(trifluoromethyl)phenol?
butan-2-amine;3-(trifluoromethyl)phenol has a molecular weight of 235.25 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-amine;3-(trifluoromethyl)phenol is sourced from PubChem (CID 160848796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).