1-[1-amino-4-(2,2-difluoroethoxy)cyclohexyl]ethenol

C10H17F2NO2 — CID 156890040

IUPAC1-[1-amino-4-(2,2-difluoroethoxy)cyclohexyl]ethenol
SMILESC=C(O)C1(N)CCC(OCC(F)F)CC1
InChIInChI=1S/C10H17F2NO2/c1-7(14)10(13)4-2-8(3-5-10)15-6-9(11)12/h8-9,14H,1-6,13H2
InChIKeyFXWFJLKPKDIOST-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.98
Rot. Bonds4

About 1-[1-amino-4-(2,2-difluoroethoxy)cyclohexyl]ethenol

1-[1-amino-4-(2,2-difluoroethoxy)cyclohexyl]ethenol (PubChem CID 156890040) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 1-[1-amino-4-(2,2-difluoroethoxy)cyclohexyl]ethenol.

Molecular Properties

Compound Name1-[1-amino-4-(2,2-difluoroethoxy)cyclohexyl]ethenol
PubChem CID156890040
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name1-[1-amino-4-(2,2-difluoroethoxy)cyclohexyl]ethenol
SMILESC=C(O)C1(N)CCC(OCC(F)F)CC1
InChIInChI=1S/C10H17F2NO2/c1-7(14)10(13)4-2-8(3-5-10)15-6-9(11)12/h8-9,14H,1-6,13H2
InChIKeyFXWFJLKPKDIOST-UHFFFAOYSA-N
XLogP1.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol
CID 82009909
1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid
CID 59562786
3-(2,2-difluoroethoxy)azetidine-1-carboxylic acid
CID 118510254
ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate
CID 79649440
3-(2,2-difluoroethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 82005503
3-(2,2-difluoroethoxy)-8-azabicyclo[3.2.1]octane
CID 130481082
ethyl 1-(cyclopropylamino)-3-(2,2-difluoroethoxy)cyclohexane-1-carboxylate
CID 82006581
methyl 1-(cyclopropylamino)-3-(2,2-difluoroethoxy)cyclohexane-1-carboxylate
CID 82007452
(1-aminocyclopentyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119345338
1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol
CID 114341920
(2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid
CID 168737415
1-butan-2-ylidene-4-[4-(2,2-difluoroethoxy)cyclohexyl]cyclohexane
CID 163752079

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-4-(2,2-difluoroethoxy)cyclohexyl]ethenol?
The IUPAC name of 1-[1-amino-4-(2,2-difluoroethoxy)cyclohexyl]ethenol (CID 156890040) is 1-[1-amino-4-(2,2-difluoroethoxy)cyclohexyl]ethenol.
What is the SMILES notation for 1-[1-amino-4-(2,2-difluoroethoxy)cyclohexyl]ethenol?
The canonical SMILES for 1-[1-amino-4-(2,2-difluoroethoxy)cyclohexyl]ethenol is C=C(O)C1(N)CCC(OCC(F)F)CC1.
What is the InChIKey of 1-[1-amino-4-(2,2-difluoroethoxy)cyclohexyl]ethenol?
The InChIKey is FXWFJLKPKDIOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-7(14)10(13)4-2-8(3-5-10)15-6-9(11)12/h8-9,14H,1-6,13H2.
What are the key properties of 1-[1-amino-4-(2,2-difluoroethoxy)cyclohexyl]ethenol?
1-[1-amino-4-(2,2-difluoroethoxy)cyclohexyl]ethenol has a molecular weight of 221.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-4-(2,2-difluoroethoxy)cyclohexyl]ethenol is sourced from PubChem (CID 156890040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).