1,1,1-trifluoro-3-[(2-methoxycyclopentyl)amino]propan-2-ol

C9H16F3NO2 — CID 63902303

IUPAC1,1,1-trifluoro-3-[(2-methoxycyclopentyl)amino]propan-2-ol
SMILESCOC1CCCC1NCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-15-7-4-2-3-6(7)13-5-8(14)9(10,11)12/h6-8,13-14H,2-5H2,1H3
InChIKeyYQQQVVLDXFFMNA-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.07
Rot. Bonds4

About 1,1,1-trifluoro-3-[(2-methoxycyclopentyl)amino]propan-2-ol

1,1,1-trifluoro-3-[(2-methoxycyclopentyl)amino]propan-2-ol (PubChem CID 63902303) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(2-methoxycyclopentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(2-methoxycyclopentyl)amino]propan-2-ol
PubChem CID63902303
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name1,1,1-trifluoro-3-[(2-methoxycyclopentyl)amino]propan-2-ol
SMILESCOC1CCCC1NCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-15-7-4-2-3-6(7)13-5-8(14)9(10,11)12/h6-8,13-14H,2-5H2,1H3
InChIKeyYQQQVVLDXFFMNA-UHFFFAOYSA-N
XLogP1.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.07
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-[(2-methoxycyclopentyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(2-methoxycyclopentyl)amino]propan-2-ol (CID 63902303) is 1,1,1-trifluoro-3-[(2-methoxycyclopentyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(2-methoxycyclopentyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(2-methoxycyclopentyl)amino]propan-2-ol is COC1CCCC1NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(2-methoxycyclopentyl)amino]propan-2-ol?
The InChIKey is YQQQVVLDXFFMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-15-7-4-2-3-6(7)13-5-8(14)9(10,11)12/h6-8,13-14H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(2-methoxycyclopentyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(2-methoxycyclopentyl)amino]propan-2-ol has a molecular weight of 227.23 g/mol, XLogP of 1.07, 4 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-[(2-methoxycyclopentyl)amino]propan-2-ol is sourced from PubChem (CID 63902303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).