1-cyclohexyl-4,4,4-trifluorobutan-1-amine

C10H18F3N — CID 64565147

IUPAC1-cyclohexyl-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H18F3N/c11-10(12,13)7-6-9(14)8-4-2-1-3-5-8/h8-9H,1-7,14H2
InChIKeyCYUHVSQNSCJGCF-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.24
Rot. Bonds3

About 1-cyclohexyl-4,4,4-trifluorobutan-1-amine

1-cyclohexyl-4,4,4-trifluorobutan-1-amine (PubChem CID 64565147) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-cyclohexyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-4,4,4-trifluorobutan-1-amine
PubChem CID64565147
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name1-cyclohexyl-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H18F3N/c11-10(12,13)7-6-9(14)8-4-2-1-3-5-8/h8-9H,1-7,14H2
InChIKeyCYUHVSQNSCJGCF-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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-cyclohexyl-4,4,4-trifluorobutan-1-amine (CID 64565147) is 1-cyclohexyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-cyclohexyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-cyclohexyl-4,4,4-trifluorobutan-1-amine is NC(CCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is CYUHVSQNSCJGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c11-10(12,13)7-6-9(14)8-4-2-1-3-5-8/h8-9H,1-7,14H2.
What are the key properties of 1-cyclohexyl-4,4,4-trifluorobutan-1-amine?
1-cyclohexyl-4,4,4-trifluorobutan-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 1-cyclohexyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 64565147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).