[1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol

C10H19F3N2O — CID 102778107

IUPAC[1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(C(CCN)C(F)(F)F)C1CO
InChIInChI=1S/C10H19F3N2O/c1-7-3-5-15(8(7)6-16)9(2-4-14)10(11,12)13/h7-9,16H,2-6,14H2,1H3
InChIKeyIYOOQWZRNVYUOM-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.97
Rot. Bonds4

About [1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol

[1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102778107) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is [1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102778107
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name[1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(C(CCN)C(F)(F)F)C1CO
InChIInChI=1S/C10H19F3N2O/c1-7-3-5-15(8(7)6-16)9(2-4-14)10(11,12)13/h7-9,16H,2-6,14H2,1H3
InChIKeyIYOOQWZRNVYUOM-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol
CID 66837420
(4,4-Difluoro-1-(piperidin-4-yl)pyrrolidin-2-yl)methanol
CID 121204083
[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol
CID 126557145
[3-Methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 142794277
[(2R)-4,4-difluoro-1-(3-methylbutan-2-yl)pyrrolidin-2-yl]methanol
CID 146286428
[(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol
CID 168881104
[(2S)-1-methyl-3-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 168881577
2-[Methyl-[2-[4-(trifluoromethyl)pyrrolidin-2-yl]ethyl]amino]ethanol
CID 172334449
2-[Methyl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 172334699
2-[Methyl-[2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethyl]amino]ethanol
CID 172335247
Ethane;2-[methyl-[2-[4-(trifluoromethyl)pyrrolidin-2-yl]ethyl]amino]ethanol
CID 172335798
5-[2-[Methyl(2,2,2-trifluoroethyl)amino]ethyl]pyrrolidin-3-ol
CID 172335865

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol (CID 102778107) is [1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol is CC1CCN(C(CCN)C(F)(F)F)C1CO.
What is the InChIKey of [1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is IYOOQWZRNVYUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-7-3-5-15(8(7)6-16)9(2-4-14)10(11,12)13/h7-9,16H,2-6,14H2,1H3.
What are the key properties of [1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol?
[1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 240.27 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102778107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).