1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine

C9H16FN — CID 166533144

IUPAC1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CC=C(F)CC1
InChIInChI=1S/C9H16FN/c1-11(2)7-8-3-5-9(10)6-4-8/h5,8H,3-4,6-7H2,1-2H3
InChIKeyGDGCZOWUUAXPFS-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.20
Rot. Bonds2

About 1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine

1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine (PubChem CID 166533144) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine
PubChem CID166533144
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CC=C(F)CC1
InChIInChI=1S/C9H16FN/c1-11(2)7-8-3-5-9(10)6-4-8/h5,8H,3-4,6-7H2,1-2H3
InChIKeyGDGCZOWUUAXPFS-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 200462
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CID 2845835
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CID 2845934
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CID 14318945
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine (CID 166533144) is 1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine is CN(C)CC1CC=C(F)CC1.
What is the InChIKey of 1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine?
The InChIKey is GDGCZOWUUAXPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-11(2)7-8-3-5-9(10)6-4-8/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine?
1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine has a molecular weight of 157.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 166533144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).