3,3-difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol

C16H33F2NO — CID 155451069

IUPAC3,3-difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol
SMILESCCCCCCC(C)(CCCC)NCC(F)(F)CCO
InChIInChI=1S/C16H33F2NO/c1-4-6-8-9-11-15(3,10-7-5-2)19-14-16(17,18)12-13-20/h19-20H,4-14H2,1-3H3
InChIKeyNSZVRSZCTWHDAK-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.51
Rot. Bonds13

About 3,3-difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol

3,3-difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol (PubChem CID 155451069) has the molecular formula C16H33F2NO and a molecular weight of 293.44 g/mol. Its IUPAC name is 3,3-difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol
PubChem CID155451069
Molecular FormulaC16H33F2NO
Molecular Weight293.44 g/mol
Exact Mass293.25
IUPAC Name3,3-difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol
SMILESCCCCCCC(C)(CCCC)NCC(F)(F)CCO
InChIInChI=1S/C16H33F2NO/c1-4-6-8-9-11-15(3,10-7-5-2)19-14-16(17,18)12-13-20/h19-20H,4-14H2,1-3H3
InChIKeyNSZVRSZCTWHDAK-UHFFFAOYSA-N
XLogP4.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.51
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

3-methyl-3-(methylamino)nonan-1-ol
CID 65235279
3-methyl-3-(octylamino)pentane-1,5-diol
CID 54557477
N-ethyl-7-methyltetradecan-7-amine
CID 593697
3-butyldecane-1,3-diol
CID 88924042
N-heptyl-5-methylnonan-5-amine
CID 126560493
3-heptadecyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 87979521
3,3-dioctadecylpentane-1,5-diol
CID 59698466
3-(7-methyltridecan-7-ylamino)propane-1,2-diol
CID 130426560
2,2-difluorododecan-1-ol
CID 86222269
4,4-dibutyldodecan-1-ol
CID 87374441
3-butyl-3-ethyloctane-1,8-diol
CID 151923682
2-fluoro-2-methylhexadecan-1-ol
CID 139634379

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol?
The IUPAC name of 3,3-difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol (CID 155451069) is 3,3-difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol.
What is the SMILES notation for 3,3-difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol?
The canonical SMILES for 3,3-difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol is CCCCCCC(C)(CCCC)NCC(F)(F)CCO.
What is the InChIKey of 3,3-difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol?
The InChIKey is NSZVRSZCTWHDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33F2NO/c1-4-6-8-9-11-15(3,10-7-5-2)19-14-16(17,18)12-13-20/h19-20H,4-14H2,1-3H3.
What are the key properties of 3,3-difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol?
3,3-difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol has a molecular weight of 293.44 g/mol, XLogP of 4.51, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol is sourced from PubChem (CID 155451069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).