3,3-difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol

C12H25F2NO — CID 155451240

IUPAC3,3-difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol
SMILESCCCC(C)(CC)NCCC(F)(F)CCO
InChIInChI=1S/C12H25F2NO/c1-4-6-11(3,5-2)15-9-7-12(13,14)8-10-16/h15-16H,4-10H2,1-3H3
InChIKeyIESQZNIHZPZCHG-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.95
Rot. Bonds9

About 3,3-difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol

3,3-difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol (PubChem CID 155451240) has the molecular formula C12H25F2NO and a molecular weight of 237.33 g/mol. Its IUPAC name is 3,3-difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol
PubChem CID155451240
Molecular FormulaC12H25F2NO
Molecular Weight237.33 g/mol
Exact Mass237.19
IUPAC Name3,3-difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol
SMILESCCCC(C)(CC)NCCC(F)(F)CCO
InChIInChI=1S/C12H25F2NO/c1-4-6-11(3,5-2)15-9-7-12(13,14)8-10-16/h15-16H,4-10H2,1-3H3
InChIKeyIESQZNIHZPZCHG-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol?
The IUPAC name of 3,3-difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol (CID 155451240) is 3,3-difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol.
What is the SMILES notation for 3,3-difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol?
The canonical SMILES for 3,3-difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol is CCCC(C)(CC)NCCC(F)(F)CCO.
What is the InChIKey of 3,3-difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol?
The InChIKey is IESQZNIHZPZCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F2NO/c1-4-6-11(3,5-2)15-9-7-12(13,14)8-10-16/h15-16H,4-10H2,1-3H3.
What are the key properties of 3,3-difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol?
3,3-difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol has a molecular weight of 237.33 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol is sourced from PubChem (CID 155451240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).