4-amino-2-cyclopentyl-3,3-difluorobutan-2-ol

C9H17F2NO — CID 105446951

IUPAC4-amino-2-cyclopentyl-3,3-difluorobutan-2-ol
SMILESCC(O)(C1CCCC1)C(F)(F)CN
InChIInChI=1S/C9H17F2NO/c1-8(13,9(10,11)6-12)7-4-2-3-5-7/h7,13H,2-6,12H2,1H3
InChIKeySAWANHLUPCOAOE-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.52
Rot. Bonds3

About 4-amino-2-cyclopentyl-3,3-difluorobutan-2-ol

4-amino-2-cyclopentyl-3,3-difluorobutan-2-ol (PubChem CID 105446951) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-amino-2-cyclopentyl-3,3-difluorobutan-2-ol.

Molecular Properties

Compound Name4-amino-2-cyclopentyl-3,3-difluorobutan-2-ol
PubChem CID105446951
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4-amino-2-cyclopentyl-3,3-difluorobutan-2-ol
SMILESCC(O)(C1CCCC1)C(F)(F)CN
InChIInChI=1S/C9H17F2NO/c1-8(13,9(10,11)6-12)7-4-2-3-5-7/h7,13H,2-6,12H2,1H3
InChIKeySAWANHLUPCOAOE-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclopentyl-3,3-difluorobutan-2-ol?
The IUPAC name of 4-amino-2-cyclopentyl-3,3-difluorobutan-2-ol (CID 105446951) is 4-amino-2-cyclopentyl-3,3-difluorobutan-2-ol.
What is the SMILES notation for 4-amino-2-cyclopentyl-3,3-difluorobutan-2-ol?
The canonical SMILES for 4-amino-2-cyclopentyl-3,3-difluorobutan-2-ol is CC(O)(C1CCCC1)C(F)(F)CN.
What is the InChIKey of 4-amino-2-cyclopentyl-3,3-difluorobutan-2-ol?
The InChIKey is SAWANHLUPCOAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-8(13,9(10,11)6-12)7-4-2-3-5-7/h7,13H,2-6,12H2,1H3.
What are the key properties of 4-amino-2-cyclopentyl-3,3-difluorobutan-2-ol?
4-amino-2-cyclopentyl-3,3-difluorobutan-2-ol has a molecular weight of 193.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopentyl-3,3-difluorobutan-2-ol is sourced from PubChem (CID 105446951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).