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

C8H14F3NO — CID 63899793

IUPAC3-[cyclopropylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCN(CC1CC1)CC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-12(4-6-2-3-6)5-7(13)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyAWJCJSTVKCZGMF-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.25
Rot. Bonds4

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

3-[cyclopropylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63899793) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[cyclopropylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID63899793
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3-[cyclopropylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCN(CC1CC1)CC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-12(4-6-2-3-6)5-7(13)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyAWJCJSTVKCZGMF-UHFFFAOYSA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[cyclopropylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol (CID 63899793) is 3-[cyclopropylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[cyclopropylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[cyclopropylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol is CN(CC1CC1)CC(O)C(F)(F)F.
What is the InChIKey of 3-[cyclopropylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is AWJCJSTVKCZGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12(4-6-2-3-6)5-7(13)8(9,10)11/h6-7,13H,2-5H2,1H3.
What are the key properties of 3-[cyclopropylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[cyclopropylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 197.20 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).