4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine

C18H30F3N — CID 70820162

IUPAC4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine
SMILESNC1CCC(C2CCC(C3CCC(F)C(F)C3)C(F)C2)CC1
InChIInChI=1S/C18H30F3N/c19-16-8-4-13(10-18(16)21)15-7-3-12(9-17(15)20)11-1-5-14(22)6-2-11/h11-18H,1-10,22H2
InChIKeyWRQBXWUXTZPIDW-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.73
Rot. Bonds2

About 4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine

4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine (PubChem CID 70820162) has the molecular formula C18H30F3N and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine
PubChem CID70820162
Molecular FormulaC18H30F3N
Molecular Weight317.44 g/mol
Exact Mass317.23
IUPAC Name4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine
SMILESNC1CCC(C2CCC(C3CCC(F)C(F)C3)C(F)C2)CC1
InChIInChI=1S/C18H30F3N/c19-16-8-4-13(10-18(16)21)15-7-3-12(9-17(15)20)11-1-5-14(22)6-2-11/h11-18H,1-10,22H2
InChIKeyWRQBXWUXTZPIDW-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(4-chloro-2-fluorocyclohexyl)-2-fluorocyclohexyl]cyclohexan-1-amine
CID 89112692
(1S,3S,4R)-3,4-difluorocyclohexan-1-amine
CID 105427836
4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane
CID 175202210
2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane;methane;trihydrate
CID 158971717
[2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane
CID 142988213
5-[4-(4-ethylcyclohexyl)-2-fluorocyclohexyl]-1,2,3-trifluorocyclohexane
CID 88960394
1,3-difluoro-5-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-2-iodocyclohexane
CID 118887189
1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;methane;molecular hydrogen;dihydrate
CID 159408600
2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142971586
3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol
CID 88928391
4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane
CID 70911437
1-(3,4-dimethylcyclohexyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane;2-fluoro-1-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-4-methylcyclohexane;2-fluoro-1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexane;2-fluoro-4-(3-fluoro-4-methylcyclohexyl)-1-(4-methylcyclohexyl)cyclohexane;dodecahydrate
CID 158122685

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine?
The IUPAC name of 4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine (CID 70820162) is 4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine is NC1CCC(C2CCC(C3CCC(F)C(F)C3)C(F)C2)CC1.
What is the InChIKey of 4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine?
The InChIKey is WRQBXWUXTZPIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F3N/c19-16-8-4-13(10-18(16)21)15-7-3-12(9-17(15)20)11-1-5-14(22)6-2-11/h11-18H,1-10,22H2.
What are the key properties of 4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine?
4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine has a molecular weight of 317.44 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 70820162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).