[[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol

C10H18FNO — CID 167135410

IUPAC[[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol
SMILESCC[C@@H](C)NC(O)C12CC(F)(C1)C2
InChIInChI=1S/C10H18FNO/c1-3-7(2)12-8(13)9-4-10(11,5-9)6-9/h7-8,12-13H,3-6H2,1-2H3/t7-,8?,9?,10?/m1/s1
InChIKeyFHRNPHKRIMLSMM-QVNBGCGHSA-N
MW187.26 g/mol
LogP1.59
Rot. Bonds4

About [[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol

[[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol (PubChem CID 167135410) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is [[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol.

Molecular Properties

Compound Name[[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol
PubChem CID167135410
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name[[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol
SMILESCC[C@@H](C)NC(O)C12CC(F)(C1)C2
InChIInChI=1S/C10H18FNO/c1-3-7(2)12-8(13)9-4-10(11,5-9)6-9/h7-8,12-13H,3-6H2,1-2H3/t7-,8?,9?,10?/m1/s1
InChIKeyFHRNPHKRIMLSMM-QVNBGCGHSA-N
XLogP1.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol 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 [[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol?
The IUPAC name of [[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol (CID 167135410) is [[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol.
What is the SMILES notation for [[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol?
The canonical SMILES for [[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol is CC[C@@H](C)NC(O)C12CC(F)(C1)C2.
What is the InChIKey of [[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol?
The InChIKey is FHRNPHKRIMLSMM-QVNBGCGHSA-N. The full InChI is InChI=1S/C10H18FNO/c1-3-7(2)12-8(13)9-4-10(11,5-9)6-9/h7-8,12-13H,3-6H2,1-2H3/t7-,8?,9?,10?/m1/s1.
What are the key properties of [[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol?
[[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol has a molecular weight of 187.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R)-butan-2-yl]amino]-(3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol is sourced from PubChem (CID 167135410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).