6-(1,1-difluoropropan-2-ylamino)hexan-1-ol

C9H19F2NO — CID 107849401

IUPAC6-(1,1-difluoropropan-2-ylamino)hexan-1-ol
SMILESCC(NCCCCCCO)C(F)F
InChIInChI=1S/C9H19F2NO/c1-8(9(10)11)12-6-4-2-3-5-7-13/h8-9,12-13H,2-7H2,1H3
InChIKeyKUVVHBAYTJXVDA-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.78
Rot. Bonds8

About 6-(1,1-difluoropropan-2-ylamino)hexan-1-ol

6-(1,1-difluoropropan-2-ylamino)hexan-1-ol (PubChem CID 107849401) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 6-(1,1-difluoropropan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(1,1-difluoropropan-2-ylamino)hexan-1-ol
PubChem CID107849401
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name6-(1,1-difluoropropan-2-ylamino)hexan-1-ol
SMILESCC(NCCCCCCO)C(F)F
InChIInChI=1S/C9H19F2NO/c1-8(9(10)11)12-6-4-2-3-5-7-13/h8-9,12-13H,2-7H2,1H3
InChIKeyKUVVHBAYTJXVDA-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-difluoropropan-2-yl)octan-1-amine
CID 102869921
N-(1,1-difluoropropan-2-yl)hexan-1-amine
CID 102868054
6-(1-hydroxyethylamino)hexan-1-ol
CID 57216176
4-(propan-2-ylamino)butan-1-ol
CID 12950986
N-(1,1-difluoropropan-2-yl)-4-methylpentan-1-amine
CID 102869254
N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine
CID 106209686
3-(4-hydroxybutylamino)-2-methylsulfanylbutan-1-ol
CID 106160735
4-(1,1-difluoropropan-2-ylamino)butan-2-ol
CID 102869648
N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine
CID 102869079
1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine
CID 102869245
N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol
CID 21412290
5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoropropan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-(1,1-difluoropropan-2-ylamino)hexan-1-ol (CID 107849401) is 6-(1,1-difluoropropan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(1,1-difluoropropan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-(1,1-difluoropropan-2-ylamino)hexan-1-ol is CC(NCCCCCCO)C(F)F.
What is the InChIKey of 6-(1,1-difluoropropan-2-ylamino)hexan-1-ol?
The InChIKey is KUVVHBAYTJXVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-8(9(10)11)12-6-4-2-3-5-7-13/h8-9,12-13H,2-7H2,1H3.
What are the key properties of 6-(1,1-difluoropropan-2-ylamino)hexan-1-ol?
6-(1,1-difluoropropan-2-ylamino)hexan-1-ol has a molecular weight of 195.25 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoropropan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 107849401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).