N-propylcyclohexanamine;2,2,2-trifluoroacetic acid

C11H20F3NO2 — CID 174842081

IUPACN-propylcyclohexanamine;2,2,2-trifluoroacetic acid
SMILESCCCNC1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19N.C2HF3O2/c1-2-8-10-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h9-10H,2-8H2,1H3;(H,6,7)
InChIKeyCKOSCXPPJHOVJW-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.95
Rot. Bonds3

About N-propylcyclohexanamine;2,2,2-trifluoroacetic acid

N-propylcyclohexanamine;2,2,2-trifluoroacetic acid (PubChem CID 174842081) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-propylcyclohexanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-propylcyclohexanamine;2,2,2-trifluoroacetic acid
PubChem CID174842081
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-propylcyclohexanamine;2,2,2-trifluoroacetic acid
SMILESCCCNC1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19N.C2HF3O2/c1-2-8-10-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h9-10H,2-8H2,1H3;(H,6,7)
InChIKeyCKOSCXPPJHOVJW-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18917555
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CID 20479072
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CID 22111907
CID 22111907
CID 22623595
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CID 22623610
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CID 42884663
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Frequently Asked Questions

What is the IUPAC name of N-propylcyclohexanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-propylcyclohexanamine;2,2,2-trifluoroacetic acid (CID 174842081) is N-propylcyclohexanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-propylcyclohexanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-propylcyclohexanamine;2,2,2-trifluoroacetic acid is CCCNC1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-propylcyclohexanamine;2,2,2-trifluoroacetic acid?
The InChIKey is CKOSCXPPJHOVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2HF3O2/c1-2-8-10-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h9-10H,2-8H2,1H3;(H,6,7).
What are the key properties of N-propylcyclohexanamine;2,2,2-trifluoroacetic acid?
N-propylcyclohexanamine;2,2,2-trifluoroacetic acid has a molecular weight of 255.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylcyclohexanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174842081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).