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

C11H14F3NO — CID 2765888

IUPAC3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCN(Cc1ccccc1)CC(O)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-15(8-10(16)11(12,13)14)7-9-5-3-2-4-6-9/h2-6,10,16H,7-8H2,1H3
InChIKeyIVHKQRVWSJYCTF-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.04
Rot. Bonds4

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

3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 2765888) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID2765888
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCN(Cc1ccccc1)CC(O)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-15(8-10(16)11(12,13)14)7-9-5-3-2-4-6-9/h2-6,10,16H,7-8H2,1H3
InChIKeyIVHKQRVWSJYCTF-UHFFFAOYSA-N
XLogP2.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol
CID 1488046
3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901849
1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
CID 153440075
2-[[benzyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367652
3-(N-benzyl-4-methylanilino)-1,1,1-trifluoropropan-2-ol
CID 24886302
3-(N-benzyl-3-fluoroanilino)-1,1,1-trifluoropropan-2-ol
CID 10805120
1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931
1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 110929932
3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048
1-[benzyl(hydroxy)amino]propan-2-ol
CID 14957155
1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166193938
(2S)-1,1,1-trifluoro-3-[methyl-[[(1R,2S)-2-phenylcyclopropyl]methyl]amino]propan-2-ol
CID 102468969

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol (CID 2765888) is 3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol is CN(Cc1ccccc1)CC(O)C(F)(F)F.
What is the InChIKey of 3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is IVHKQRVWSJYCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-15(8-10(16)11(12,13)14)7-9-5-3-2-4-6-9/h2-6,10,16H,7-8H2,1H3.
What are the key properties of 3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 233.23 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 2765888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).