3-amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol

C10H14F3NO — CID 123605263

IUPAC3-amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol
SMILESCC1C=CC=CC1C(O)(CN)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-7-4-2-3-5-8(7)9(15,6-14)10(11,12)13/h2-5,7-8,15H,6,14H2,1H3
InChIKeyYUEVLLDSAYKZDJ-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.62
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol

3-amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol (PubChem CID 123605263) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol
PubChem CID123605263
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name3-amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol
SMILESCC1C=CC=CC1C(O)(CN)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-7-4-2-3-5-8(7)9(15,6-14)10(11,12)13/h2-5,7-8,15H,6,14H2,1H3
InChIKeyYUEVLLDSAYKZDJ-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol (CID 123605263) is 3-amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol is CC1C=CC=CC1C(O)(CN)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol?
The InChIKey is YUEVLLDSAYKZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-7-4-2-3-5-8(7)9(15,6-14)10(11,12)13/h2-5,7-8,15H,6,14H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol?
3-amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol has a molecular weight of 221.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol is sourced from PubChem (CID 123605263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).