2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol

C8H15F2NO — CID 106176036

IUPAC2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol
SMILESC=C(CC)CNCC(F)(F)CO
InChIInChI=1S/C8H15F2NO/c1-3-7(2)4-11-5-8(9,10)6-12/h11-12H,2-6H2,1H3
InChIKeyARNODSKDWZOABR-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.17
Rot. Bonds6

About 2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol

2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol (PubChem CID 106176036) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol
PubChem CID106176036
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol
SMILESC=C(CC)CNCC(F)(F)CO
InChIInChI=1S/C8H15F2NO/c1-3-7(2)4-11-5-8(9,10)6-12/h11-12H,2-6H2,1H3
InChIKeyARNODSKDWZOABR-UHFFFAOYSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-3-(pentylamino)propan-1-ol
CID 106172944
1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol
CID 106176261
butyl 2-[(2,2-difluoro-3-hydroxypropyl)amino]acetate
CID 106175952
N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
CID 106176276
N-(2,2-difluoroethyl)-2-methylidenebutan-1-amine
CID 115406522
3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 170259901
3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol
CID 106176446
2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol
CID 106176837
3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol
CID 106172834
2-(2-methylidenebutylamino)acetamide
CID 66047349
1-(ethylamino)-4-methylidenehexan-2-one
CID 116562696
ethyl 3-[(2,2-difluoro-3-hydroxypropyl)amino]propanoate
CID 106175942

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol (CID 106176036) is 2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol is C=C(CC)CNCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol?
The InChIKey is ARNODSKDWZOABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-3-7(2)4-11-5-8(9,10)6-12/h11-12H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol?
2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol has a molecular weight of 179.21 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol is sourced from PubChem (CID 106176036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).