1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol

C14H24F3NO2 — CID 63226772

IUPAC1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol
SMILESCC1CC=CCC1COCC(O)CNCCC(F)(F)F
InChIInChI=1S/C14H24F3NO2/c1-11-4-2-3-5-12(11)9-20-10-13(19)8-18-7-6-14(15,16)17/h2-3,11-13,18-19H,4-10H2,1H3
InChIKeySVPMYZNCAFZZJQ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.51
Rot. Bonds8

About 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol

1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol (PubChem CID 63226772) has the molecular formula C14H24F3NO2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol
PubChem CID63226772
Molecular FormulaC14H24F3NO2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol
SMILESCC1CC=CCC1COCC(O)CNCCC(F)(F)F
InChIInChI=1S/C14H24F3NO2/c1-11-4-2-3-5-12(11)9-20-10-13(19)8-18-7-6-14(15,16)17/h2-3,11-13,18-19H,4-10H2,1H3
InChIKeySVPMYZNCAFZZJQ-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The IUPAC name of 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol (CID 63226772) is 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol.
What is the SMILES notation for 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The canonical SMILES for 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol is CC1CC=CCC1COCC(O)CNCCC(F)(F)F.
What is the InChIKey of 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The InChIKey is SVPMYZNCAFZZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-11-4-2-3-5-12(11)9-20-10-13(19)8-18-7-6-14(15,16)17/h2-3,11-13,18-19H,4-10H2,1H3.
What are the key properties of 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol?
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol has a molecular weight of 295.35 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol is sourced from PubChem (CID 63226772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).