1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine

C12H22FN — CID 118401831

IUPAC1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine
SMILESC=C(C)C1CC(CF)CC[C@H]1C(C)N
InChIInChI=1S/C12H22FN/c1-8(2)12-6-10(7-13)4-5-11(12)9(3)14/h9-12H,1,4-7,14H2,2-3H3/t9?,10?,11-,12?/m0/s1
InChIKeyASLNGKYSWGABOZ-FYJQFVIDSA-N
MW199.31 g/mol
LogP2.91
Rot. Bonds3

About 1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine

1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine (PubChem CID 118401831) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine.

Molecular Properties

Compound Name1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine
PubChem CID118401831
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine
SMILESC=C(C)C1CC(CF)CC[C@H]1C(C)N
InChIInChI=1S/C12H22FN/c1-8(2)12-6-10(7-13)4-5-11(12)9(3)14/h9-12H,1,4-7,14H2,2-3H3/t9?,10?,11-,12?/m0/s1
InChIKeyASLNGKYSWGABOZ-FYJQFVIDSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 134389888
CID 134389888
CID 134430016
CID 134430016
CID 170286991
CID 170286991
CID 174293075
CID 174293075
CID 129628515
CID 129628515
CID 105153477
CID 105153477
CID 105163082
CID 105163082
CID 105163123
CID 105163123
CID 105163124
CID 105163124
CID 105163172
CID 105163172
CID 105163713
CID 105163713
CID 105163755
CID 105163755

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine?
The IUPAC name of 1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine (CID 118401831) is 1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine.
What is the SMILES notation for 1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine?
The canonical SMILES for 1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine is C=C(C)C1CC(CF)CC[C@H]1C(C)N.
What is the InChIKey of 1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine?
The InChIKey is ASLNGKYSWGABOZ-FYJQFVIDSA-N. The full InChI is InChI=1S/C12H22FN/c1-8(2)12-6-10(7-13)4-5-11(12)9(3)14/h9-12H,1,4-7,14H2,2-3H3/t9?,10?,11-,12?/m0/s1.
What are the key properties of 1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine?
1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine has a molecular weight of 199.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine is sourced from PubChem (CID 118401831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).