1,1,1-trifluoro-3-[(1-methylazepan-4-yl)amino]propan-2-ol

C10H19F3N2O — CID 103859779

IUPAC1,1,1-trifluoro-3-[(1-methylazepan-4-yl)amino]propan-2-ol
SMILESCN1CCCC(NCC(O)C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c1-15-5-2-3-8(4-6-15)14-7-9(16)10(11,12)13/h8-9,14,16H,2-7H2,1H3
InChIKeyFZFWOMZEZACFQD-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.98
Rot. Bonds3

About 1,1,1-trifluoro-3-[(1-methylazepan-4-yl)amino]propan-2-ol

1,1,1-trifluoro-3-[(1-methylazepan-4-yl)amino]propan-2-ol (PubChem CID 103859779) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(1-methylazepan-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(1-methylazepan-4-yl)amino]propan-2-ol
PubChem CID103859779
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1,1,1-trifluoro-3-[(1-methylazepan-4-yl)amino]propan-2-ol
SMILESCN1CCCC(NCC(O)C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c1-15-5-2-3-8(4-6-15)14-7-9(16)10(11,12)13/h8-9,14,16H,2-7H2,1H3
InChIKeyFZFWOMZEZACFQD-UHFFFAOYSA-N
XLogP0.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(1-methylazepan-4-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(1-methylazepan-4-yl)amino]propan-2-ol (CID 103859779) is 1,1,1-trifluoro-3-[(1-methylazepan-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(1-methylazepan-4-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(1-methylazepan-4-yl)amino]propan-2-ol is CN1CCCC(NCC(O)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1-trifluoro-3-[(1-methylazepan-4-yl)amino]propan-2-ol?
The InChIKey is FZFWOMZEZACFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-15-5-2-3-8(4-6-15)14-7-9(16)10(11,12)13/h8-9,14,16H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(1-methylazepan-4-yl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(1-methylazepan-4-yl)amino]propan-2-ol has a molecular weight of 240.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(1-methylazepan-4-yl)amino]propan-2-ol is sourced from PubChem (CID 103859779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).