4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine

C13H23F2NO — CID 170209594

IUPAC4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine
SMILESCOC1CCCC(NC2CCC(F)(F)CC2)C1
InChIInChI=1S/C13H23F2NO/c1-17-12-4-2-3-11(9-12)16-10-5-7-13(14,15)8-6-10/h10-12,16H,2-9H2,1H3
InChIKeyLUYDZTYGLKZFRU-UHFFFAOYSA-N
MW247.33 g/mol
LogP3.11
Rot. Bonds3

About 4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine

4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine (PubChem CID 170209594) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine
PubChem CID170209594
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine
SMILESCOC1CCCC(NC2CCC(F)(F)CC2)C1
InChIInChI=1S/C13H23F2NO/c1-17-12-4-2-3-11(9-12)16-10-5-7-13(14,15)8-6-10/h10-12,16H,2-9H2,1H3
InChIKeyLUYDZTYGLKZFRU-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-methylcyclohexan-1-amine
CID 14480118
[3-(Propan-2-ylamino)cyclohexyl] 2,2,2-trifluoroacetate
CID 59304215
4-fluoro-3-methoxy-N-methylcyclohexan-1-amine
CID 123464531
1,1,1-Trifluoro-2-[[3-(trifluoromethoxy)cyclohexyl]amino]propan-2-ol
CID 149820458
N-cyclohexyl-4-(trifluoromethoxy)cyclohexan-1-amine
CID 169191035
3-[(4,4-Difluorocyclohexyl)amino]cyclohexan-1-ol
CID 170209590
N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435226
N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435232
N-(2-ethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435233
N-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435240
N-butyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435241
N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435243

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine (CID 170209594) is 4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine is COC1CCCC(NC2CCC(F)(F)CC2)C1.
What is the InChIKey of 4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine?
The InChIKey is LUYDZTYGLKZFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-17-12-4-2-3-11(9-12)16-10-5-7-13(14,15)8-6-10/h10-12,16H,2-9H2,1H3.
What are the key properties of 4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine?
4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine has a molecular weight of 247.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 170209594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).