2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol

C12H22F3NO2 — CID 66278372

IUPAC2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)OC(C)C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-8(18-9(2)12(13,14)15)6-11(3,7-17)16-10-4-5-10/h8-10,16-17H,4-7H2,1-3H3
InChIKeyLHBOJVIGOAKATB-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.24
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol

2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol (PubChem CID 66278372) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
PubChem CID66278372
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)OC(C)C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-8(18-9(2)12(13,14)15)6-11(3,7-17)16-10-4-5-10/h8-10,16-17H,4-7H2,1-3H3
InChIKeyLHBOJVIGOAKATB-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol (CID 66278372) is 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol is CC(CC(C)(CO)NC1CC1)OC(C)C(F)(F)F.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol?
The InChIKey is LHBOJVIGOAKATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-8(18-9(2)12(13,14)15)6-11(3,7-17)16-10-4-5-10/h8-10,16-17H,4-7H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol?
2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol has a molecular weight of 269.31 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol is sourced from PubChem (CID 66278372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).