4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine

C9H17F2NO — CID 146310597

IUPAC4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine
SMILESCOCCNC1CCC(F)(F)CC1
InChIInChI=1S/C9H17F2NO/c1-13-7-6-12-8-2-4-9(10,11)5-3-8/h8,12H,2-7H2,1H3
InChIKeyGDMOVHHOFVUMTJ-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.80
Rot. Bonds4

About 4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine

4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine (PubChem CID 146310597) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine
PubChem CID146310597
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine
SMILESCOCCNC1CCC(F)(F)CC1
InChIInChI=1S/C9H17F2NO/c1-13-7-6-12-8-2-4-9(10,11)5-3-8/h8,12H,2-7H2,1H3
InChIKeyGDMOVHHOFVUMTJ-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)cyclohexanamine
CID 12687399
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 57494007
trans-N1-((R)-3,3,3-trifluoro-2-methoxypropyl)cyclohexane-1,4-diamine
CID 66937257
4-N-(3,3,3-trifluoro-2-methoxypropyl)cyclohexane-1,4-diamine
CID 66937259
Cyclohexanamine,N-(2,2-dimethoxyethyl)-4,4-difluoro-
CID 68377725
4-N-(2-ethoxy-3,3,3-trifluoropropyl)cyclohexane-1,4-diamine
CID 123436184
2-[(4,4-Difluorocyclohexyl)amino]ethanol
CID 129320071
4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]butan-1-amine
CID 144800484
4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine
CID 147713380
2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine
CID 158746367
4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 164787018
N-(2-ethoxyethyl)-4-fluorocyclohexan-1-amine
CID 167101591

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine (CID 146310597) is 4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine is COCCNC1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine?
The InChIKey is GDMOVHHOFVUMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-13-7-6-12-8-2-4-9(10,11)5-3-8/h8,12H,2-7H2,1H3.
What are the key properties of 4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine?
4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine has a molecular weight of 193.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 146310597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).