2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol

C14H29F2NO — CID 106173035

IUPAC2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol
SMILESCCCCCC(CCCCC)NCC(F)(F)CO
InChIInChI=1S/C14H29F2NO/c1-3-5-7-9-13(10-8-6-4-2)17-11-14(15,16)12-18/h13,17-18H,3-12H2,1-2H3
InChIKeyILUPMCMEEPQQGZ-UHFFFAOYSA-N
MW265.39 g/mol
LogP3.73
Rot. Bonds12

About 2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol

2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol (PubChem CID 106173035) has the molecular formula C14H29F2NO and a molecular weight of 265.39 g/mol. Its IUPAC name is 2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol
PubChem CID106173035
Molecular FormulaC14H29F2NO
Molecular Weight265.39 g/mol
Exact Mass265.22
IUPAC Name2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol
SMILESCCCCCC(CCCCC)NCC(F)(F)CO
InChIInChI=1S/C14H29F2NO/c1-3-5-7-9-13(10-8-6-4-2)17-11-14(15,16)12-18/h13,17-18H,3-12H2,1-2H3
InChIKeyILUPMCMEEPQQGZ-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61352156
4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol
CID 106144836
2,2-difluoro-3-(pentylamino)propan-1-ol
CID 106172944
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
N-ethyldecan-5-amine
CID 79405026
N-ethyltetradecan-7-amine
CID 87847195
2-(ethylamino)nonan-1-ol
CID 61050713
3-(propylamino)dodecan-1-ol
CID 114078400
5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol
CID 15272899
N-(2,2,2-trifluoroethyl)nonan-2-amine
CID 43129666
2,2-difluorododecan-1-ol
CID 86222269
3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol
CID 115359046

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol (CID 106173035) is 2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol is CCCCCC(CCCCC)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol?
The InChIKey is ILUPMCMEEPQQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F2NO/c1-3-5-7-9-13(10-8-6-4-2)17-11-14(15,16)12-18/h13,17-18H,3-12H2,1-2H3.
What are the key properties of 2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol?
2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol has a molecular weight of 265.39 g/mol, XLogP of 3.73, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol is sourced from PubChem (CID 106173035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).