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

C9H18F3NO — CID 115592465

IUPAC3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCC(CC)CNCC(O)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-7(4-2)5-13-6-8(14)9(10,11)12/h7-8,13-14H,3-6H2,1-2H3
InChIKeyAVNXWIJVEYVWEG-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.94
Rot. Bonds6

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

3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 115592465) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID115592465
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCC(CC)CNCC(O)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-7(4-2)5-13-6-8(14)9(10,11)12/h7-8,13-14H,3-6H2,1-2H3
InChIKeyAVNXWIJVEYVWEG-UHFFFAOYSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901066
1,1,1-trifluoro-3-(hydroxyamino)propan-2-ol
CID 18071378
2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine
CID 103529398
1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760283
1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518334
2-amino-3-(2-ethylbutylamino)propanamide
CID 103267063
1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 63901679
N,2-diethylbutan-1-amine;hydrochloride
CID 171379469
1,1,1-trifluorohexane-2,4-diol;hydrochloride
CID 174612779
N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine
CID 116789342

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol (CID 115592465) is 3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol is CCC(CC)CNCC(O)C(F)(F)F.
What is the InChIKey of 3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is AVNXWIJVEYVWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-3-7(4-2)5-13-6-8(14)9(10,11)12/h7-8,13-14H,3-6H2,1-2H3.
What are the key properties of 3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol?
3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 213.24 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 115592465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).