3-[cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol

C9H16F3NO — CID 63900207

IUPAC3-[cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCN(CC1CCC1)CC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-13(5-7-3-2-4-7)6-8(14)9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyYVGPZWYRLHBVKA-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.64
Rot. Bonds4

About 3-[cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol

3-[cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63900207) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID63900207
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-[cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCN(CC1CCC1)CC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-13(5-7-3-2-4-7)6-8(14)9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyYVGPZWYRLHBVKA-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol (CID 63900207) is 3-[cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol is CN(CC1CCC1)CC(O)C(F)(F)F.
What is the InChIKey of 3-[cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is YVGPZWYRLHBVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13(5-7-3-2-4-7)6-8(14)9(10,11)12/h7-8,14H,2-6H2,1H3.
What are the key properties of 3-[cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).