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

C9H16F3NO — CID 63901865

IUPAC1,1,1-trifluoro-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-2-ol
SMILESCC1CC1CN(C)CC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6-3-7(6)4-13(2)5-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3
InChIKeyCQHVQZKMUQNLJQ-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.50
Rot. Bonds4

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

1,1,1-trifluoro-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-2-ol (PubChem CID 63901865) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-2-ol
PubChem CID63901865
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1,1,1-trifluoro-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-2-ol
SMILESCC1CC1CN(C)CC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6-3-7(6)4-13(2)5-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3
InChIKeyCQHVQZKMUQNLJQ-UHFFFAOYSA-N
XLogP1.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-2-ol (CID 63901865) is 1,1,1-trifluoro-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-2-ol is CC1CC1CN(C)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-2-ol?
The InChIKey is CQHVQZKMUQNLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6-3-7(6)4-13(2)5-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-2-ol?
1,1,1-trifluoro-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 63901865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).