N-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine

C12H22F3NO — CID 82957343

IUPACN-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine
SMILESFC(F)(F)CCOCCCNC1CCCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)7-10-17-9-4-8-16-11-5-2-1-3-6-11/h11,16H,1-10H2
InChIKeyKSXNYZRYSRJKNR-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds7

About N-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine

N-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine (PubChem CID 82957343) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine
PubChem CID82957343
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine
SMILESFC(F)(F)CCOCCCNC1CCCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)7-10-17-9-4-8-16-11-5-2-1-3-6-11/h11,16H,1-10H2
InChIKeyKSXNYZRYSRJKNR-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-Methoxypropyl)cyclohexanamine
CID 28674201
N-cyclohexyl-3-fluorooxan-4-amine
CID 58035402
4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine
CID 146310597
N-(2-ethoxyethyl)-4-fluorocyclohexan-1-amine
CID 167101591
4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine;hydrochloride
CID 177769749
N-[3-(2,2,2-trifluoroethoxy)propyl]octan-2-amine
CID 54961715
N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine
CID 54962287
N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine
CID 55093006
N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexanamine
CID 60732958
N-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptanamine
CID 60761888
N'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 61490968
N'-cyclohexyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 61491074

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine?
The IUPAC name of N-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine (CID 82957343) is N-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine is FC(F)(F)CCOCCCNC1CCCCC1.
What is the InChIKey of N-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine?
The InChIKey is KSXNYZRYSRJKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c13-12(14,15)7-10-17-9-4-8-16-11-5-2-1-3-6-11/h11,16H,1-10H2.
What are the key properties of N-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine?
N-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine has a molecular weight of 253.31 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine is sourced from PubChem (CID 82957343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).