1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine

C14H22FNO — CID 130217421

IUPAC1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine
SMILESC#CCNC(C)CC1CC=C(OCCF)CC1
InChIInChI=1S/C14H22FNO/c1-3-9-16-12(2)11-13-4-6-14(7-5-13)17-10-8-15/h1,6,12-13,16H,4-5,7-11H2,2H3
InChIKeySJUTYUBFOXLMIL-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.66
Rot. Bonds7

About 1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine

1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine (PubChem CID 130217421) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine
PubChem CID130217421
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine
SMILESC#CCNC(C)CC1CC=C(OCCF)CC1
InChIInChI=1S/C14H22FNO/c1-3-9-16-12(2)11-13-4-6-14(7-5-13)17-10-8-15/h1,6,12-13,16H,4-5,7-11H2,2H3
InChIKeySJUTYUBFOXLMIL-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine?
The IUPAC name of 1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine (CID 130217421) is 1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine.
What is the SMILES notation for 1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine?
The canonical SMILES for 1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine is C#CCNC(C)CC1CC=C(OCCF)CC1.
What is the InChIKey of 1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine?
The InChIKey is SJUTYUBFOXLMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-9-16-12(2)11-13-4-6-14(7-5-13)17-10-8-15/h1,6,12-13,16H,4-5,7-11H2,2H3.
What are the key properties of 1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine?
1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroethoxy)cyclohex-3-en-1-yl]-N-prop-2-ynylpropan-2-amine is sourced from PubChem (CID 130217421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).