(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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).