3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-1-ol

C9H19F2NO — CID 102869776

IUPAC3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-1-ol
SMILESCCC(CCO)CNC(C)C(F)F
InChIInChI=1S/C9H19F2NO/c1-3-8(4-5-13)6-12-7(2)9(10)11/h7-9,12-13H,3-6H2,1-2H3
InChIKeyKNGLTEKWSRCFNS-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.64
Rot. Bonds7

About 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-1-ol

3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-1-ol (PubChem CID 102869776) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-1-ol
PubChem CID102869776
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-1-ol
SMILESCCC(CCO)CNC(C)C(F)F
InChIInChI=1S/C9H19F2NO/c1-3-8(4-5-13)6-12-7(2)9(10)11/h7-9,12-13H,3-6H2,1-2H3
InChIKeyKNGLTEKWSRCFNS-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-1-ol?
The IUPAC name of 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-1-ol (CID 102869776) is 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-1-ol.
What is the SMILES notation for 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-1-ol?
The canonical SMILES for 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-1-ol is CCC(CCO)CNC(C)C(F)F.
What is the InChIKey of 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-1-ol?
The InChIKey is KNGLTEKWSRCFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-3-8(4-5-13)6-12-7(2)9(10)11/h7-9,12-13H,3-6H2,1-2H3.
What are the key properties of 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-1-ol?
3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-1-ol has a molecular weight of 195.25 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-difluoropropan-2-ylamino)methyl]pentan-1-ol is sourced from PubChem (CID 102869776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).