3-(cyclododecylamino)-2,2-difluoropropan-1-ol

C15H29F2NO — CID 106172898

IUPAC3-(cyclododecylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CCCCCCCCCCC1
InChIInChI=1S/C15H29F2NO/c16-15(17,13-19)12-18-14-10-8-6-4-2-1-3-5-7-9-11-14/h14,18-19H,1-13H2
InChIKeyDTBBRNVKQWLZGU-UHFFFAOYSA-N
MW277.40 g/mol
LogP3.88
Rot. Bonds4

About 3-(cyclododecylamino)-2,2-difluoropropan-1-ol

3-(cyclododecylamino)-2,2-difluoropropan-1-ol (PubChem CID 106172898) has the molecular formula C15H29F2NO and a molecular weight of 277.40 g/mol. Its IUPAC name is 3-(cyclododecylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(cyclododecylamino)-2,2-difluoropropan-1-ol
PubChem CID106172898
Molecular FormulaC15H29F2NO
Molecular Weight277.40 g/mol
Exact Mass277.22
IUPAC Name3-(cyclododecylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CCCCCCCCCCC1
InChIInChI=1S/C15H29F2NO/c16-15(17,13-19)12-18-14-10-8-6-4-2-1-3-5-7-9-11-14/h14,18-19H,1-13H2
InChIKeyDTBBRNVKQWLZGU-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclododecylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(cyclododecylamino)-2,2-difluoropropan-1-ol (CID 106172898) is 3-(cyclododecylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(cyclododecylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(cyclododecylamino)-2,2-difluoropropan-1-ol is OCC(F)(F)CNC1CCCCCCCCCCC1.
What is the InChIKey of 3-(cyclododecylamino)-2,2-difluoropropan-1-ol?
The InChIKey is DTBBRNVKQWLZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2NO/c16-15(17,13-19)12-18-14-10-8-6-4-2-1-3-5-7-9-11-14/h14,18-19H,1-13H2.
What are the key properties of 3-(cyclododecylamino)-2,2-difluoropropan-1-ol?
3-(cyclododecylamino)-2,2-difluoropropan-1-ol has a molecular weight of 277.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclododecylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106172898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).