4-fluoro-3-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine

C10H14FN — CID 142248012

IUPAC4-fluoro-3-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
SMILESC=C(C)NC1=CC(C)=C(F)CC1
InChIInChI=1S/C10H14FN/c1-7(2)12-9-4-5-10(11)8(3)6-9/h6,12H,1,4-5H2,2-3H3
InChIKeyAQNGAEZPAJZBHV-UHFFFAOYSA-N
MW167.23 g/mol
LogP3.03
Rot. Bonds2

About 4-fluoro-3-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine

4-fluoro-3-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine (PubChem CID 142248012) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
PubChem CID142248012
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name4-fluoro-3-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
SMILESC=C(C)NC1=CC(C)=C(F)CC1
InChIInChI=1S/C10H14FN/c1-7(2)12-9-4-5-10(11)8(3)6-9/h6,12H,1,4-5H2,2-3H3
InChIKeyAQNGAEZPAJZBHV-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-fluoro-3-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine (CID 142248012) is 4-fluoro-3-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-fluoro-3-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-fluoro-3-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine is C=C(C)NC1=CC(C)=C(F)CC1.
What is the InChIKey of 4-fluoro-3-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is AQNGAEZPAJZBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-7(2)12-9-4-5-10(11)8(3)6-9/h6,12H,1,4-5H2,2-3H3.
What are the key properties of 4-fluoro-3-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine?
4-fluoro-3-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 167.23 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 142248012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).