2,2-difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol

C11H23F2NO — CID 155451312

IUPAC2,2-difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol
SMILESCCCC(C)(CC)NCCC(F)(F)CO
InChIInChI=1S/C11H23F2NO/c1-4-6-10(3,5-2)14-8-7-11(12,13)9-15/h14-15H,4-9H2,1-3H3
InChIKeyXXXDYXDRVHBZIE-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.56
Rot. Bonds8

About 2,2-difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol

2,2-difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol (PubChem CID 155451312) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is 2,2-difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol
PubChem CID155451312
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Name2,2-difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol
SMILESCCCC(C)(CC)NCCC(F)(F)CO
InChIInChI=1S/C11H23F2NO/c1-4-6-10(3,5-2)14-8-7-11(12,13)9-15/h14-15H,4-9H2,1-3H3
InChIKeyXXXDYXDRVHBZIE-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol?
The IUPAC name of 2,2-difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol (CID 155451312) is 2,2-difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol.
What is the SMILES notation for 2,2-difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol?
The canonical SMILES for 2,2-difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol is CCCC(C)(CC)NCCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol?
The InChIKey is XXXDYXDRVHBZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO/c1-4-6-10(3,5-2)14-8-7-11(12,13)9-15/h14-15H,4-9H2,1-3H3.
What are the key properties of 2,2-difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol?
2,2-difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol has a molecular weight of 223.31 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-(3-methylhexan-3-ylamino)butan-1-ol is sourced from PubChem (CID 155451312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).