3-[(2,2-difluoroethylamino)methyl]pentan-3-ol

C8H17F2NO — CID 65111387

IUPAC3-[(2,2-difluoroethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(F)F
InChIInChI=1S/C8H17F2NO/c1-3-8(12,4-2)6-11-5-7(9)10/h7,11-12H,3-6H2,1-2H3
InChIKeyOLFVDBCLDCJQEW-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.39
Rot. Bonds6

About 3-[(2,2-difluoroethylamino)methyl]pentan-3-ol

3-[(2,2-difluoroethylamino)methyl]pentan-3-ol (PubChem CID 65111387) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-[(2,2-difluoroethylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2,2-difluoroethylamino)methyl]pentan-3-ol
PubChem CID65111387
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name3-[(2,2-difluoroethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(F)F
InChIInChI=1S/C8H17F2NO/c1-3-8(12,4-2)6-11-5-7(9)10/h7,11-12H,3-6H2,1-2H3
InChIKeyOLFVDBCLDCJQEW-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoroethylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(2,2-difluoroethylamino)methyl]pentan-3-ol (CID 65111387) is 3-[(2,2-difluoroethylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(2,2-difluoroethylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(2,2-difluoroethylamino)methyl]pentan-3-ol is CCC(O)(CC)CNCC(F)F.
What is the InChIKey of 3-[(2,2-difluoroethylamino)methyl]pentan-3-ol?
The InChIKey is OLFVDBCLDCJQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-3-8(12,4-2)6-11-5-7(9)10/h7,11-12H,3-6H2,1-2H3.
What are the key properties of 3-[(2,2-difluoroethylamino)methyl]pentan-3-ol?
3-[(2,2-difluoroethylamino)methyl]pentan-3-ol has a molecular weight of 181.23 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoroethylamino)methyl]pentan-3-ol is sourced from PubChem (CID 65111387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).