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

C10H19F2NO2 — CID 106173039

IUPAC3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCC1CC(NCC(F)(F)CO)CCO1
InChIInChI=1S/C10H19F2NO2/c1-2-9-5-8(3-4-15-9)13-6-10(11,12)7-14/h8-9,13-14H,2-7H2,1H3
InChIKeyXKJXLNGNVJZCOA-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.16
Rot. Bonds5

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

3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106173039) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106173039
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCC1CC(NCC(F)(F)CO)CCO1
InChIInChI=1S/C10H19F2NO2/c1-2-9-5-8(3-4-15-9)13-6-10(11,12)7-14/h8-9,13-14H,2-7H2,1H3
InChIKeyXKJXLNGNVJZCOA-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol
CID 65105246
4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol
CID 106127626
2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine
CID 106211022
3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol
CID 106172985
3-(cycloheptylamino)-2,2-difluoropropan-1-ol
CID 104857454
tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 103991365
2-ethyl-N-methoxyoxan-4-amine
CID 82706412
[3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol
CID 107229792
2-ethyl-N-pent-3-ynyloxan-4-amine
CID 116642789
3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 104860685
4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532324
2-ethyl-N-(3-methylcyclopentyl)oxan-4-amine
CID 114543810

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol (CID 106173039) is 3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol is CCC1CC(NCC(F)(F)CO)CCO1.
What is the InChIKey of 3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is XKJXLNGNVJZCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-2-9-5-8(3-4-15-9)13-6-10(11,12)7-14/h8-9,13-14H,2-7H2,1H3.
What are the key properties of 3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol?
3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 223.26 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106173039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).