4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine

C10H17F4NO — CID 45283088

IUPAC4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
SMILESCC1CCC(N)C(OCC(F)(F)C(F)F)C1
InChIInChI=1S/C10H17F4NO/c1-6-2-3-7(15)8(4-6)16-5-10(13,14)9(11)12/h6-9H,2-5,15H2,1H3
InChIKeyROMZALLPHFXAJD-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.42
Rot. Bonds4

About 4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine

4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine (PubChem CID 45283088) has the molecular formula C10H17F4NO and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
PubChem CID45283088
Molecular FormulaC10H17F4NO
Molecular Weight243.24 g/mol
Exact Mass243.12
IUPAC Name4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
SMILESCC1CCC(N)C(OCC(F)(F)C(F)F)C1
InChIInChI=1S/C10H17F4NO/c1-6-2-3-7(15)8(4-6)16-5-10(13,14)9(11)12/h6-9H,2-5,15H2,1H3
InChIKeyROMZALLPHFXAJD-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine?
The IUPAC name of 4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine (CID 45283088) is 4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine is CC1CCC(N)C(OCC(F)(F)C(F)F)C1.
What is the InChIKey of 4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine?
The InChIKey is ROMZALLPHFXAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO/c1-6-2-3-7(15)8(4-6)16-5-10(13,14)9(11)12/h6-9H,2-5,15H2,1H3.
What are the key properties of 4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine?
4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine has a molecular weight of 243.24 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine is sourced from PubChem (CID 45283088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).