N-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine

C11H22F3NO — CID 66274667

IUPACN-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
SMILESCC(C)NCCCC(C)OC(C)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-8(2)15-7-5-6-9(3)16-10(4)11(12,13)14/h8-10,15H,5-7H2,1-4H3
InChIKeyUVLUOVWFOBXQJR-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds7

About N-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine

N-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine (PubChem CID 66274667) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
PubChem CID66274667
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
SMILESCC(C)NCCCC(C)OC(C)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-8(2)15-7-5-6-9(3)16-10(4)11(12,13)14/h8-10,15H,5-7H2,1-4H3
InChIKeyUVLUOVWFOBXQJR-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The IUPAC name of N-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine (CID 66274667) is N-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine.
What is the SMILES notation for N-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The canonical SMILES for N-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine is CC(C)NCCCC(C)OC(C)C(F)(F)F.
What is the InChIKey of N-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The InChIKey is UVLUOVWFOBXQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-8(2)15-7-5-6-9(3)16-10(4)11(12,13)14/h8-10,15H,5-7H2,1-4H3.
What are the key properties of N-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
N-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine is sourced from PubChem (CID 66274667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).