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

C11H21F2NO — CID 103529198

IUPAC3-(2-cyclohexylethylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCCC1CCCCC1
InChIInChI=1S/C11H21F2NO/c12-11(13,9-15)8-14-7-6-10-4-2-1-3-5-10/h10,14-15H,1-9H2
InChIKeyCNKUZWCIWTVTBE-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.17
Rot. Bonds6

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

3-(2-cyclohexylethylamino)-2,2-difluoropropan-1-ol (PubChem CID 103529198) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 3-(2-cyclohexylethylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(2-cyclohexylethylamino)-2,2-difluoropropan-1-ol
PubChem CID103529198
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name3-(2-cyclohexylethylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCCC1CCCCC1
InChIInChI=1S/C11H21F2NO/c12-11(13,9-15)8-14-7-6-10-4-2-1-3-5-10/h10,14-15H,1-9H2
InChIKeyCNKUZWCIWTVTBE-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.17
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

2-[(4,4-Difluoro-cyclohexylmethyl)-amino]-ethanol
CID 67152047
2-[(3,3-Difluorocyclohexyl)methylamino]ethanol
CID 68729593
2-[2-[(3,4-Difluorocyclohexyl)methylamino]ethyl]propane-1,3-diol
CID 71132699
3-[(3-Fluorocyclohexyl)methylamino]propane-1,1-diol
CID 89791979
3-[4-(2,2-Difluorocyclopropyl)butylamino]propan-1-ol
CID 146582865
2,2-Difluoro-3-(5-methylundecan-5-ylamino)propan-1-ol
CID 155450799
CID 4712667
CID 4712667
cyclohexylmethyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7153079
(2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 7153080
cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7153088
(2R)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 7153089
N-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962027

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(2-cyclohexylethylamino)-2,2-difluoropropan-1-ol (CID 103529198) is 3-(2-cyclohexylethylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(2-cyclohexylethylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(2-cyclohexylethylamino)-2,2-difluoropropan-1-ol is OCC(F)(F)CNCCC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylethylamino)-2,2-difluoropropan-1-ol?
The InChIKey is CNKUZWCIWTVTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c12-11(13,9-15)8-14-7-6-10-4-2-1-3-5-10/h10,14-15H,1-9H2.
What are the key properties of 3-(2-cyclohexylethylamino)-2,2-difluoropropan-1-ol?
3-(2-cyclohexylethylamino)-2,2-difluoropropan-1-ol has a molecular weight of 221.29 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 103529198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).