4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine

C11H20FN — CID 146589947

IUPAC4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C2(CF)CC2)CC1
InChIInChI=1S/C11H20FN/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11/h9-10,13H,2-8H2,1H3
InChIKeyYWTOPAZUHBAYQO-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.51
Rot. Bonds3

About 4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine

4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine (PubChem CID 146589947) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine
PubChem CID146589947
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C2(CF)CC2)CC1
InChIInChI=1S/C11H20FN/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11/h9-10,13H,2-8H2,1H3
InChIKeyYWTOPAZUHBAYQO-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine (CID 146589947) is 4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine is CNC1CCC(C2(CF)CC2)CC1.
What is the InChIKey of 4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine?
The InChIKey is YWTOPAZUHBAYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11/h9-10,13H,2-8H2,1H3.
What are the key properties of 4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine?
4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine has a molecular weight of 185.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(fluoromethyl)cyclopropyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 146589947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).