[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine

C10H17F4NO — CID 43428924

IUPAC[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
SMILESNCC1CCCCC1OCC(F)(F)C(F)F
InChIInChI=1S/C10H17F4NO/c11-9(12)10(13,14)6-16-8-4-2-1-3-7(8)5-15/h7-9H,1-6,15H2
InChIKeyVNWKBTBFHYFMPU-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.42
Rot. Bonds5

About [2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine

[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine (PubChem CID 43428924) has the molecular formula C10H17F4NO and a molecular weight of 243.24 g/mol. Its IUPAC name is [2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
PubChem CID43428924
Molecular FormulaC10H17F4NO
Molecular Weight243.24 g/mol
Exact Mass243.12
IUPAC Name[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
SMILESNCC1CCCCC1OCC(F)(F)C(F)F
InChIInChI=1S/C10H17F4NO/c11-9(12)10(13,14)6-16-8-4-2-1-3-7(8)5-15/h7-9H,1-6,15H2
InChIKeyVNWKBTBFHYFMPU-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The IUPAC name of [2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine (CID 43428924) is [2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine.
What is the SMILES notation for [2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The canonical SMILES for [2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine is NCC1CCCCC1OCC(F)(F)C(F)F.
What is the InChIKey of [2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The InChIKey is VNWKBTBFHYFMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO/c11-9(12)10(13,14)6-16-8-4-2-1-3-7(8)5-15/h7-9H,1-6,15H2.
What are the key properties of [2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine has a molecular weight of 243.24 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43428924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).