2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine

C12H18FN — CID 145139024

IUPAC2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine
SMILESCCCNC1CC1C1=CC=C(F)CC1
InChIInChI=1S/C12H18FN/c1-2-7-14-12-8-11(12)9-3-5-10(13)6-4-9/h3,5,11-12,14H,2,4,6-8H2,1H3
InChIKeyYSRYKVNVYLBZMY-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.95
Rot. Bonds4

About 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine

2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine (PubChem CID 145139024) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine.

Molecular Properties

Compound Name2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine
PubChem CID145139024
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine
SMILESCCCNC1CC1C1=CC=C(F)CC1
InChIInChI=1S/C12H18FN/c1-2-7-14-12-8-11(12)9-3-5-10(13)6-4-9/h3,5,11-12,14H,2,4,6-8H2,1H3
InChIKeyYSRYKVNVYLBZMY-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine?
The IUPAC name of 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine (CID 145139024) is 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine.
What is the SMILES notation for 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine?
The canonical SMILES for 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine is CCCNC1CC1C1=CC=C(F)CC1.
What is the InChIKey of 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine?
The InChIKey is YSRYKVNVYLBZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-2-7-14-12-8-11(12)9-3-5-10(13)6-4-9/h3,5,11-12,14H,2,4,6-8H2,1H3.
What are the key properties of 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine?
2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine is sourced from PubChem (CID 145139024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).