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

C6H12F3NO — CID 63901425

IUPAC3-[ethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCN(C)CC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-3-10(2)4-5(11)6(7,8)9/h5,11H,3-4H2,1-2H3
InChIKeyORWODCPKEIIFAG-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.86
Rot. Bonds3

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

3-[ethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63901425) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID63901425
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name3-[ethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCN(C)CC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-3-10(2)4-5(11)6(7,8)9/h5,11H,3-4H2,1-2H3
InChIKeyORWODCPKEIIFAG-UHFFFAOYSA-N
XLogP0.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dimepranol
CID 37511
2-Propanol, 1-(diethylamino)-
CID 95387
(S)-(+)-1-Dimethylamino-2-propanol
CID 6950248
3-(Dimethylamino)-1,1,1-trifluoropropan-2-ol
CID 20721301
(2R)-1-(diethylamino)propan-2-ol
CID 6951309
(2S)-1-(diethylamino)propan-2-ol
CID 6951311
2-[Methyl(2,2,2-trifluoroethyl)amino]ethan-1-ol
CID 54594038
3-(Ethylamino)-1,1,1-trifluoropropan-2-ol
CID 63900017
(S)-1,1,1-Trifluoro-3-(diethylamino)propan-2-ol
CID 10058229
(2S)-3-(Dimethylamino)-1,1,1-trifluoropropan-2-ol
CID 71374204
1-(Dimethylamino)-4,4,4-trifluorobutan-2-ol
CID 82534636
N-(2-hydroxyethyl)-N-(2-hydroxypropyl)methylamine
CID 13397348

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[ethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol (CID 63901425) is 3-[ethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[ethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[ethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol is CCN(C)CC(O)C(F)(F)F.
What is the InChIKey of 3-[ethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is ORWODCPKEIIFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-3-10(2)4-5(11)6(7,8)9/h5,11H,3-4H2,1-2H3.
What are the key properties of 3-[ethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[ethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 171.16 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).