1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine

C15H18FN — CID 142425720

IUPAC1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine
SMILESNC1(C2=C(C3=CC=C(F)CC3)CCC=C2)CC1
InChIInChI=1S/C15H18FN/c16-12-7-5-11(6-8-12)13-3-1-2-4-14(13)15(17)9-10-15/h2,4-5,7H,1,3,6,8-10,17H2
InChIKeyOZOJIEGODIASFC-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.70
Rot. Bonds2

About 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine

1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine (PubChem CID 142425720) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine
PubChem CID142425720
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC Name1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine
SMILESNC1(C2=C(C3=CC=C(F)CC3)CCC=C2)CC1
InChIInChI=1S/C15H18FN/c16-12-7-5-11(6-8-12)13-3-1-2-4-14(13)15(17)9-10-15/h2,4-5,7H,1,3,6,8-10,17H2
InChIKeyOZOJIEGODIASFC-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine (CID 142425720) is 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine is NC1(C2=C(C3=CC=C(F)CC3)CCC=C2)CC1.
What is the InChIKey of 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine?
The InChIKey is OZOJIEGODIASFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c16-12-7-5-11(6-8-12)13-3-1-2-4-14(13)15(17)9-10-15/h2,4-5,7H,1,3,6,8-10,17H2.
What are the key properties of 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine?
1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine has a molecular weight of 231.31 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine is sourced from PubChem (CID 142425720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).