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

C10H19F3N2O — CID 102777997

IUPAC[1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC(N)C(N1CCC(C)C1CO)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-6-3-4-15(8(6)5-16)9(7(2)14)10(11,12)13/h6-9,16H,3-5,14H2,1-2H3
InChIKeyZCSCKLGRQCHINK-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.97
Rot. Bonds3

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

[1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102777997) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is [1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102777997
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name[1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC(N)C(N1CCC(C)C1CO)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-6-3-4-15(8(6)5-16)9(7(2)14)10(11,12)13/h6-9,16H,3-5,14H2,1-2H3
InChIKeyZCSCKLGRQCHINK-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-(1,1-Difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine
CID 137489575
(2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol
CID 137496274
[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
2-[Methyl-[[4-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 172334324
2-[Methyl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 172334699
2-[Propan-2-yl-[[4-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 176600978
2-[Propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 176601977
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol
CID 61407662
[1-(4-Amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol
CID 61407665
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol
CID 61648296

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol (CID 102777997) is [1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol is CC(N)C(N1CCC(C)C1CO)C(F)(F)F.
What is the InChIKey of [1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is ZCSCKLGRQCHINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-6-3-4-15(8(6)5-16)9(7(2)14)10(11,12)13/h6-9,16H,3-5,14H2,1-2H3.
What are the key properties of [1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol?
[1-(3-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, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102777997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).