(2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol

C10H20F2N2O — CID 66837420

IUPAC(2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol
SMILESCC(C)[C@H](N)C(O)N1CC(F)(F)C[C@H]1C
InChIInChI=1S/C10H20F2N2O/c1-6(2)8(13)9(15)14-5-10(11,12)4-7(14)3/h6-9,15H,4-5,13H2,1-3H3/t7-,8+,9?/m1/s1
InChIKeyFTVVCNGJAAZUTC-WGTSGOJVSA-N
MW222.28 g/mol
LogP1.02
Rot. Bonds3

About (2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol

(2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol (PubChem CID 66837420) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol
PubChem CID66837420
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name(2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol
SMILESCC(C)[C@H](N)C(O)N1CC(F)(F)C[C@H]1C
InChIInChI=1S/C10H20F2N2O/c1-6(2)8(13)9(15)14-5-10(11,12)4-7(14)3/h6-9,15H,4-5,13H2,1-3H3/t7-,8+,9?/m1/s1
InChIKeyFTVVCNGJAAZUTC-WGTSGOJVSA-N
XLogP1.02
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol with MolForge

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Related Compounds

4-Methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol
CID 71921429
4-Amino-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-ol
CID 117706288
[3-Amino-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-yl]methanol
CID 117706300
1-(3,3-Difluoropyrrolidin-1-yl)-2-(methoxymethylamino)-3-methylbutan-1-ol
CID 123726990
(2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-ol
CID 134355599
(2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol
CID 137496274
2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 171505326
2-[Methyl-[[4-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 172334324
2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol
CID 172334597
2-[Methyl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 172334699
2-[(3,3-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol
CID 172335157
2-[Propan-2-yl-[[4-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 176600978

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol (CID 66837420) is (2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol is CC(C)[C@H](N)C(O)N1CC(F)(F)C[C@H]1C.
What is the InChIKey of (2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol?
The InChIKey is FTVVCNGJAAZUTC-WGTSGOJVSA-N. The full InChI is InChI=1S/C10H20F2N2O/c1-6(2)8(13)9(15)14-5-10(11,12)4-7(14)3/h6-9,15H,4-5,13H2,1-3H3/t7-,8+,9?/m1/s1.
What are the key properties of (2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol?
(2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol has a molecular weight of 222.28 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 66837420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).