1-(1,1-difluoropropan-2-ylamino)pentan-3-ol

C8H17F2NO — CID 102870105

IUPAC1-(1,1-difluoropropan-2-ylamino)pentan-3-ol
SMILESCCC(O)CCNC(C)C(F)F
InChIInChI=1S/C8H17F2NO/c1-3-7(12)4-5-11-6(2)8(9)10/h6-8,11-12H,3-5H2,1-2H3
InChIKeyOPMYVRZJFMRNEO-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.39
Rot. Bonds6

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

1-(1,1-difluoropropan-2-ylamino)pentan-3-ol (PubChem CID 102870105) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(1,1-difluoropropan-2-ylamino)pentan-3-ol.

Molecular Properties

Compound Name1-(1,1-difluoropropan-2-ylamino)pentan-3-ol
PubChem CID102870105
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name1-(1,1-difluoropropan-2-ylamino)pentan-3-ol
SMILESCCC(O)CCNC(C)C(F)F
InChIInChI=1S/C8H17F2NO/c1-3-7(12)4-5-11-6(2)8(9)10/h6-8,11-12H,3-5H2,1-2H3
InChIKeyOPMYVRZJFMRNEO-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 1-(1,1-difluoropropan-2-ylamino)pentan-3-ol?
The IUPAC name of 1-(1,1-difluoropropan-2-ylamino)pentan-3-ol (CID 102870105) is 1-(1,1-difluoropropan-2-ylamino)pentan-3-ol.
What is the SMILES notation for 1-(1,1-difluoropropan-2-ylamino)pentan-3-ol?
The canonical SMILES for 1-(1,1-difluoropropan-2-ylamino)pentan-3-ol is CCC(O)CCNC(C)C(F)F.
What is the InChIKey of 1-(1,1-difluoropropan-2-ylamino)pentan-3-ol?
The InChIKey is OPMYVRZJFMRNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-3-7(12)4-5-11-6(2)8(9)10/h6-8,11-12H,3-5H2,1-2H3.
What are the key properties of 1-(1,1-difluoropropan-2-ylamino)pentan-3-ol?
1-(1,1-difluoropropan-2-ylamino)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 1-(1,1-difluoropropan-2-ylamino)pentan-3-ol is sourced from PubChem (CID 102870105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).