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

C11H21F2NO — CID 104860608

IUPAC3-(1-cyclohexylethylamino)-2,2-difluoropropan-1-ol
SMILESCC(NCC(F)(F)CO)C1CCCCC1
InChIInChI=1S/C11H21F2NO/c1-9(10-5-3-2-4-6-10)14-7-11(12,13)8-15/h9-10,14-15H,2-8H2,1H3
InChIKeyJTVIAGKCCFWXMT-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.17
Rot. Bonds5

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

3-(1-cyclohexylethylamino)-2,2-difluoropropan-1-ol (PubChem CID 104860608) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 3-(1-cyclohexylethylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(1-cyclohexylethylamino)-2,2-difluoropropan-1-ol
PubChem CID104860608
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name3-(1-cyclohexylethylamino)-2,2-difluoropropan-1-ol
SMILESCC(NCC(F)(F)CO)C1CCCCC1
InChIInChI=1S/C11H21F2NO/c1-9(10-5-3-2-4-6-10)14-7-11(12,13)8-15/h9-10,14-15H,2-8H2,1H3
InChIKeyJTVIAGKCCFWXMT-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylethylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(1-cyclohexylethylamino)-2,2-difluoropropan-1-ol (CID 104860608) is 3-(1-cyclohexylethylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(1-cyclohexylethylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(1-cyclohexylethylamino)-2,2-difluoropropan-1-ol is CC(NCC(F)(F)CO)C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylethylamino)-2,2-difluoropropan-1-ol?
The InChIKey is JTVIAGKCCFWXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-9(10-5-3-2-4-6-10)14-7-11(12,13)8-15/h9-10,14-15H,2-8H2,1H3.
What are the key properties of 3-(1-cyclohexylethylamino)-2,2-difluoropropan-1-ol?
3-(1-cyclohexylethylamino)-2,2-difluoropropan-1-ol has a molecular weight of 221.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylethylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104860608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).