3-amino-1,1,1-trifluoro-2-(4-methylcyclohexen-1-yl)propan-2-ol

C10H16F3NO — CID 165450824

IUPAC3-amino-1,1,1-trifluoro-2-(4-methylcyclohexen-1-yl)propan-2-ol
SMILESCC1CC=C(C(O)(CN)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO/c1-7-2-4-8(5-3-7)9(15,6-14)10(11,12)13/h4,7,15H,2-3,5-6,14H2,1H3
InChIKeyNQIZPVFQIQEZMW-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.98
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-2-(4-methylcyclohexen-1-yl)propan-2-ol

3-amino-1,1,1-trifluoro-2-(4-methylcyclohexen-1-yl)propan-2-ol (PubChem CID 165450824) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(4-methylcyclohexen-1-yl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(4-methylcyclohexen-1-yl)propan-2-ol
PubChem CID165450824
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name3-amino-1,1,1-trifluoro-2-(4-methylcyclohexen-1-yl)propan-2-ol
SMILESCC1CC=C(C(O)(CN)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO/c1-7-2-4-8(5-3-7)9(15,6-14)10(11,12)13/h4,7,15H,2-3,5-6,14H2,1H3
InChIKeyNQIZPVFQIQEZMW-UHFFFAOYSA-N
XLogP1.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(4-methylcyclohexen-1-yl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(4-methylcyclohexen-1-yl)propan-2-ol (CID 165450824) is 3-amino-1,1,1-trifluoro-2-(4-methylcyclohexen-1-yl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(4-methylcyclohexen-1-yl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(4-methylcyclohexen-1-yl)propan-2-ol is CC1CC=C(C(O)(CN)C(F)(F)F)CC1.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(4-methylcyclohexen-1-yl)propan-2-ol?
The InChIKey is NQIZPVFQIQEZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-7-2-4-8(5-3-7)9(15,6-14)10(11,12)13/h4,7,15H,2-3,5-6,14H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(4-methylcyclohexen-1-yl)propan-2-ol?
3-amino-1,1,1-trifluoro-2-(4-methylcyclohexen-1-yl)propan-2-ol has a molecular weight of 223.24 g/mol, XLogP of 1.98, 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-(4-methylcyclohexen-1-yl)propan-2-ol is sourced from PubChem (CID 165450824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).