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

C9H16F3NO — CID 63900039

IUPAC1,1,1-trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol
SMILESCC1(NCC(O)C(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NO/c1-8(4-2-3-5-8)13-6-7(14)9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyDLCIIVOQXFCLFB-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.83
Rot. Bonds3

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

1,1,1-trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol (PubChem CID 63900039) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol
PubChem CID63900039
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1,1,1-trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol
SMILESCC1(NCC(O)C(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NO/c1-8(4-2-3-5-8)13-6-7(14)9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyDLCIIVOQXFCLFB-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol (CID 63900039) is 1,1,1-trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol is CC1(NCC(O)C(F)(F)F)CCCC1.
What is the InChIKey of 1,1,1-trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol?
The InChIKey is DLCIIVOQXFCLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(4-2-3-5-8)13-6-7(14)9(10,11)12/h7,13-14H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol is sourced from PubChem (CID 63900039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).