cycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine

C15H25F2N — CID 106656886

IUPACcycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine
SMILESNC(C1=CCCCCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H25F2N/c16-15(17)10-8-13(9-11-15)14(18)12-6-4-2-1-3-5-7-12/h6,13-14H,1-5,7-11,18H2
InChIKeyNDMBCTPCDHCCOB-UHFFFAOYSA-N
MW257.37 g/mol
LogP4.42
Rot. Bonds2

About cycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine

cycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine (PubChem CID 106656886) has the molecular formula C15H25F2N and a molecular weight of 257.37 g/mol. Its IUPAC name is cycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine.

Molecular Properties

Compound Namecycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine
PubChem CID106656886
Molecular FormulaC15H25F2N
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namecycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine
SMILESNC(C1=CCCCCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H25F2N/c16-15(17)10-8-13(9-11-15)14(18)12-6-4-2-1-3-5-7-12/h6,13-14H,1-5,7-11,18H2
InChIKeyNDMBCTPCDHCCOB-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4,4-Difluorocyclohexyl)prop-2-en-1-amine;hydrochloride
CID 177798596
1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine
CID 71008416
(3R)-2-methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89073715
2,3-Dimethyl-4-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89073943
2-Methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89074090
(1R)-2,3-dimethyl-4-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89153784
2-Methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89154096
(1R)-1-[(2R,5R)-2-fluoro-4,5-dimethylcyclohex-3-en-1-yl]ethanamine
CID 89318382
4-Ethyl-2-fluoro-5-methylcyclohex-3-en-1-amine
CID 89749912
4-[2-(2,6-Difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine
CID 90382271
4-[2-(3,5-Difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine
CID 90382272
4-[2-(4,5-Difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine
CID 90382274

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine?
The IUPAC name of cycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine (CID 106656886) is cycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine.
What is the SMILES notation for cycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine?
The canonical SMILES for cycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine is NC(C1=CCCCCCC1)C1CCC(F)(F)CC1.
What is the InChIKey of cycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine?
The InChIKey is NDMBCTPCDHCCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N/c16-15(17)10-8-13(9-11-15)14(18)12-6-4-2-1-3-5-7-12/h6,13-14H,1-5,7-11,18H2.
What are the key properties of cycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine?
cycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine has a molecular weight of 257.37 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine is sourced from PubChem (CID 106656886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).