3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropan-1-ol

C11H21F2NO2 — CID 106172878

IUPAC3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCC1(C)CC(NCC(F)(F)CO)CCO1
InChIInChI=1S/C11H21F2NO2/c1-3-10(2)6-9(4-5-16-10)14-7-11(12,13)8-15/h9,14-15H,3-8H2,1-2H3
InChIKeyNTSNGAIIBRVGFQ-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.55
Rot. Bonds5

About 3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropan-1-ol

3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106172878) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is 3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106172878
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCC1(C)CC(NCC(F)(F)CO)CCO1
InChIInChI=1S/C11H21F2NO2/c1-3-10(2)6-9(4-5-16-10)14-7-11(12,13)8-15/h9,14-15H,3-8H2,1-2H3
InChIKeyNTSNGAIIBRVGFQ-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropan-1-ol (CID 106172878) is 3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropan-1-ol is CCC1(C)CC(NCC(F)(F)CO)CCO1.
What is the InChIKey of 3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is NTSNGAIIBRVGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-3-10(2)6-9(4-5-16-10)14-7-11(12,13)8-15/h9,14-15H,3-8H2,1-2H3.
What are the key properties of 3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropan-1-ol?
3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 237.29 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-2-methyloxan-4-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106172878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).