3-(dibutylamino)-1,1,1-trifluoropropan-2-ol

C11H22F3NO — CID 63901016

IUPAC3-(dibutylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCCCN(CCCC)CC(O)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-5-7-15(8-6-4-2)9-10(16)11(12,13)14/h10,16H,3-9H2,1-2H3
InChIKeyCNAGRYHDWBVBJW-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.81
Rot. Bonds8

About 3-(dibutylamino)-1,1,1-trifluoropropan-2-ol

3-(dibutylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 63901016) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-(dibutylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(dibutylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID63901016
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name3-(dibutylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCCCN(CCCC)CC(O)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-5-7-15(8-6-4-2)9-10(16)11(12,13)14/h10,16H,3-9H2,1-2H3
InChIKeyCNAGRYHDWBVBJW-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,1,1-trifluoro-3-[hexyl(pentyl)amino]propan-2-ol
CID 87509068
1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 63899795
(2R)-1-chloro-1,1-difluoro-3-[hexyl(pentyl)amino]propan-2-ol
CID 87509935
(2R)-3,3,4,4,4-pentafluoro-1-[hexyl(pentyl)amino]butan-2-ol
CID 87509318
1-(dipentylamino)butan-2-ol
CID 21496903
3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile
CID 63900827
1-[butyl(ethyl)amino]butan-2-ol
CID 60885925
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
2-(dioctylamino)ethane-1,1-diol
CID 87744502
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
1-(dibutylamino)undecan-2-ol
CID 101275149
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(dibutylamino)-1,1,1-trifluoropropan-2-ol (CID 63901016) is 3-(dibutylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(dibutylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(dibutylamino)-1,1,1-trifluoropropan-2-ol is CCCCN(CCCC)CC(O)C(F)(F)F.
What is the InChIKey of 3-(dibutylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is CNAGRYHDWBVBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-3-5-7-15(8-6-4-2)9-10(16)11(12,13)14/h10,16H,3-9H2,1-2H3.
What are the key properties of 3-(dibutylamino)-1,1,1-trifluoropropan-2-ol?
3-(dibutylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 241.30 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).