2-(cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol

C12H22F3NO2 — CID 66275123

IUPAC2-(cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
SMILESCC(OCCCC(C)(CO)NC1CC1)C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-9(12(13,14)15)18-7-3-6-11(2,8-17)16-10-4-5-10/h9-10,16-17H,3-8H2,1-2H3
InChIKeyBWOBTXCWPOLJDJ-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.24
Rot. Bonds8

About 2-(cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol

2-(cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol (PubChem CID 66275123) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
PubChem CID66275123
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2-(cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
SMILESCC(OCCCC(C)(CO)NC1CC1)C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-9(12(13,14)15)18-7-3-6-11(2,8-17)16-10-4-5-10/h9-10,16-17H,3-8H2,1-2H3
InChIKeyBWOBTXCWPOLJDJ-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol (CID 66275123) is 2-(cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol is CC(OCCCC(C)(CO)NC1CC1)C(F)(F)F.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol?
The InChIKey is BWOBTXCWPOLJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-9(12(13,14)15)18-7-3-6-11(2,8-17)16-10-4-5-10/h9-10,16-17H,3-8H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol?
2-(cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol has a molecular weight of 269.31 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol is sourced from PubChem (CID 66275123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).