2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol

C10H12F3NO — CID 130274652

IUPAC2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol
SMILESCC(O)(CC(F)(F)F)c1ccc(N)cc1
InChIInChI=1S/C10H12F3NO/c1-9(15,6-10(11,12)13)7-2-4-8(14)5-3-7/h2-5,15H,6,14H2,1H3
InChIKeyOTPYPEBWXMPPND-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.43
Rot. Bonds2

About 2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol

2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol (PubChem CID 130274652) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol.

Molecular Properties

Compound Name2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol
PubChem CID130274652
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol
SMILESCC(O)(CC(F)(F)F)c1ccc(N)cc1
InChIInChI=1S/C10H12F3NO/c1-9(15,6-10(11,12)13)7-2-4-8(14)5-3-7/h2-5,15H,6,14H2,1H3
InChIKeyOTPYPEBWXMPPND-UHFFFAOYSA-N
XLogP2.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol
CID 102471163
4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline
CID 154634122
4,4,4-trifluoro-2-phenylbutan-2-ol
CID 102471164
2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane
CID 143399660
benzene-1,4-diamine;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol
CID 90976001
2-(4-aminophenyl)-3-methylbutan-2-ol
CID 115015456
2-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol
CID 118144058
4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol
CID 156764645
4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol
CID 156765582
4-(2-fluoropropan-2-yl)aniline;2,2,2-trifluoroacetic acid
CID 154727835
1-amino-2-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62774941
3-[4-(4-aminophenoxy)phenyl]butane-1,3-diol
CID 54340762

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol?
The IUPAC name of 2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol (CID 130274652) is 2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol.
What is the SMILES notation for 2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol?
The canonical SMILES for 2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol is CC(O)(CC(F)(F)F)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol?
The InChIKey is OTPYPEBWXMPPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-9(15,6-10(11,12)13)7-2-4-8(14)5-3-7/h2-5,15H,6,14H2,1H3.
What are the key properties of 2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol?
2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol has a molecular weight of 219.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol is sourced from PubChem (CID 130274652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).