4-(4,4,4-trifluorobutan-2-ylamino)oxolan-3-ol

C8H14F3NO2 — CID 115923408

IUPAC4-(4,4,4-trifluorobutan-2-ylamino)oxolan-3-ol
SMILESCC(CC(F)(F)F)NC1COCC1O
InChIInChI=1S/C8H14F3NO2/c1-5(2-8(9,10)11)12-6-3-14-4-7(6)13/h5-7,12-13H,2-4H2,1H3
InChIKeyLWCHDNLYHTZRRE-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.68
Rot. Bonds3

About 4-(4,4,4-trifluorobutan-2-ylamino)oxolan-3-ol

4-(4,4,4-trifluorobutan-2-ylamino)oxolan-3-ol (PubChem CID 115923408) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutan-2-ylamino)oxolan-3-ol.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutan-2-ylamino)oxolan-3-ol
PubChem CID115923408
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name4-(4,4,4-trifluorobutan-2-ylamino)oxolan-3-ol
SMILESCC(CC(F)(F)F)NC1COCC1O
InChIInChI=1S/C8H14F3NO2/c1-5(2-8(9,10)11)12-6-3-14-4-7(6)13/h5-7,12-13H,2-4H2,1H3
InChIKeyLWCHDNLYHTZRRE-UHFFFAOYSA-N
XLogP0.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-(methylamino)oxolan-3-ol
CID 89143979
4-(1,1,1-Trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol
CID 67296033
4-(2,2-Difluoroethoxy)pyrrolidin-3-ol
CID 82004167
(3R,4R)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyrrolidin-3-ol
CID 130951332
(3R,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-ol
CID 133631654
(4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol
CID 139346082
(3R,4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol
CID 139364401
[(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol
CID 141395737
(3R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol
CID 167180013
(2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol
CID 169182278
3,3-Difluoro-2-(oxolan-3-ylamino)propan-1-ol
CID 169779160
1-(Propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 43166139

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutan-2-ylamino)oxolan-3-ol?
The IUPAC name of 4-(4,4,4-trifluorobutan-2-ylamino)oxolan-3-ol (CID 115923408) is 4-(4,4,4-trifluorobutan-2-ylamino)oxolan-3-ol.
What is the SMILES notation for 4-(4,4,4-trifluorobutan-2-ylamino)oxolan-3-ol?
The canonical SMILES for 4-(4,4,4-trifluorobutan-2-ylamino)oxolan-3-ol is CC(CC(F)(F)F)NC1COCC1O.
What is the InChIKey of 4-(4,4,4-trifluorobutan-2-ylamino)oxolan-3-ol?
The InChIKey is LWCHDNLYHTZRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-5(2-8(9,10)11)12-6-3-14-4-7(6)13/h5-7,12-13H,2-4H2,1H3.
What are the key properties of 4-(4,4,4-trifluorobutan-2-ylamino)oxolan-3-ol?
4-(4,4,4-trifluorobutan-2-ylamino)oxolan-3-ol has a molecular weight of 213.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutan-2-ylamino)oxolan-3-ol is sourced from PubChem (CID 115923408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).