4-(4,4,4-trifluorobutyl)cyclohexan-1-amine

C10H18F3N — CID 83262332

IUPAC4-(4,4,4-trifluorobutyl)cyclohexan-1-amine
SMILESNC1CCC(CCCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N/c11-10(12,13)7-1-2-8-3-5-9(14)6-4-8/h8-9H,1-7,14H2
InChIKeyNOZNHHXFRVBOGA-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.24
Rot. Bonds3

About 4-(4,4,4-trifluorobutyl)cyclohexan-1-amine

4-(4,4,4-trifluorobutyl)cyclohexan-1-amine (PubChem CID 83262332) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutyl)cyclohexan-1-amine
PubChem CID83262332
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name4-(4,4,4-trifluorobutyl)cyclohexan-1-amine
SMILESNC1CCC(CCCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N/c11-10(12,13)7-1-2-8-3-5-9(14)6-4-8/h8-9H,1-7,14H2
InChIKeyNOZNHHXFRVBOGA-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,4-trifluorobutylcyclopentane
CID 149313516
4-(3-aminopropyl)cyclohexan-1-amine
CID 22292235
1-butyl-4-[4-(5,5,5-trifluoropentyl)cyclohexyl]cyclohexane
CID 57322732
1-pentyl-4-[4-(5,5,5-trifluoropentyl)cyclohexyl]cyclohexane
CID 57002742
8-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decane
CID 53252711
1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane
CID 169209459
2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane
CID 123894644
4-(4-pentylcyclohexyl)cyclohexan-1-amine
CID 86168777
4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane
CID 171489426
4-(3-methoxypropyl)cyclohexan-1-amine;hydrochloride
CID 146675825
4-(2-bromoethyl)cyclohexan-1-amine
CID 68903730
1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride
CID 90482882

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The IUPAC name of 4-(4,4,4-trifluorobutyl)cyclohexan-1-amine (CID 83262332) is 4-(4,4,4-trifluorobutyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The canonical SMILES for 4-(4,4,4-trifluorobutyl)cyclohexan-1-amine is NC1CCC(CCCC(F)(F)F)CC1.
What is the InChIKey of 4-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The InChIKey is NOZNHHXFRVBOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c11-10(12,13)7-1-2-8-3-5-9(14)6-4-8/h8-9H,1-7,14H2.
What are the key properties of 4-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
4-(4,4,4-trifluorobutyl)cyclohexan-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutyl)cyclohexan-1-amine is sourced from PubChem (CID 83262332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).