1-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine

C10H14F3N — CID 91359749

IUPAC1-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine
SMILESCCCC(N)C1C=C(F)C(F)=C(F)C1
InChIInChI=1S/C10H14F3N/c1-2-3-9(14)6-4-7(11)10(13)8(12)5-6/h4,6,9H,2-3,5,14H2,1H3
InChIKeyJFBDZKXTWNAVRS-UHFFFAOYSA-N
MW205.22 g/mol
LogP3.14
Rot. Bonds3

About 1-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine

1-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine (PubChem CID 91359749) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine.

Molecular Properties

Compound Name1-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine
PubChem CID91359749
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name1-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine
SMILESCCCC(N)C1C=C(F)C(F)=C(F)C1
InChIInChI=1S/C10H14F3N/c1-2-3-9(14)6-4-7(11)10(13)8(12)5-6/h4,6,9H,2-3,5,14H2,1H3
InChIKeyJFBDZKXTWNAVRS-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine?
The IUPAC name of 1-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine (CID 91359749) is 1-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine.
What is the SMILES notation for 1-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine?
The canonical SMILES for 1-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine is CCCC(N)C1C=C(F)C(F)=C(F)C1.
What is the InChIKey of 1-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine?
The InChIKey is JFBDZKXTWNAVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-2-3-9(14)6-4-7(11)10(13)8(12)5-6/h4,6,9H,2-3,5,14H2,1H3.
What are the key properties of 1-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine?
1-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine has a molecular weight of 205.22 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine is sourced from PubChem (CID 91359749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).