1-amino-4,4-difluoropentan-2-ol

C5H11F2NO — CID 137422003

IUPAC1-amino-4,4-difluoropentan-2-ol
SMILESCC(F)(F)CC(O)CN
InChIInChI=1S/C5H11F2NO/c1-5(6,7)2-4(9)3-8/h4,9H,2-3,8H2,1H3
InChIKeyLHHVJYHCDVZPNM-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.35
Rot. Bonds3

About 1-amino-4,4-difluoropentan-2-ol

1-amino-4,4-difluoropentan-2-ol (PubChem CID 137422003) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-amino-4,4-difluoropentan-2-ol.

Molecular Properties

Compound Name1-amino-4,4-difluoropentan-2-ol
PubChem CID137422003
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC Name1-amino-4,4-difluoropentan-2-ol
SMILESCC(F)(F)CC(O)CN
InChIInChI=1S/C5H11F2NO/c1-5(6,7)2-4(9)3-8/h4,9H,2-3,8H2,1H3
InChIKeyLHHVJYHCDVZPNM-UHFFFAOYSA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4,4-difluoropentan-2-ol?
The IUPAC name of 1-amino-4,4-difluoropentan-2-ol (CID 137422003) is 1-amino-4,4-difluoropentan-2-ol.
What is the SMILES notation for 1-amino-4,4-difluoropentan-2-ol?
The canonical SMILES for 1-amino-4,4-difluoropentan-2-ol is CC(F)(F)CC(O)CN.
What is the InChIKey of 1-amino-4,4-difluoropentan-2-ol?
The InChIKey is LHHVJYHCDVZPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-5(6,7)2-4(9)3-8/h4,9H,2-3,8H2,1H3.
What are the key properties of 1-amino-4,4-difluoropentan-2-ol?
1-amino-4,4-difluoropentan-2-ol has a molecular weight of 139.15 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,4-difluoropentan-2-ol is sourced from PubChem (CID 137422003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).