7-fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine

C14H16FN — CID 145370986

IUPAC7-fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine
SMILESC=C=CC1CC(C)(C)c2c(F)ccc(N)c21
InChIInChI=1S/C14H16FN/c1-4-5-9-8-14(2,3)13-10(15)6-7-11(16)12(9)13/h5-7,9H,1,8,16H2,2-3H3
InChIKeyKQDGXEAVNIOGIW-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.51
Rot. Bonds1

About 7-fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine

7-fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine (PubChem CID 145370986) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is 7-fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine.

Molecular Properties

Compound Name7-fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine
PubChem CID145370986
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name7-fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine
SMILESC=C=CC1CC(C)(C)c2c(F)ccc(N)c21
InChIInChI=1S/C14H16FN/c1-4-5-9-8-14(2,3)13-10(15)6-7-11(16)12(9)13/h5-7,9H,1,8,16H2,2-3H3
InChIKeyKQDGXEAVNIOGIW-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine?
The IUPAC name of 7-fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine (CID 145370986) is 7-fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine.
What is the SMILES notation for 7-fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine?
The canonical SMILES for 7-fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine is C=C=CC1CC(C)(C)c2c(F)ccc(N)c21.
What is the InChIKey of 7-fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine?
The InChIKey is KQDGXEAVNIOGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN/c1-4-5-9-8-14(2,3)13-10(15)6-7-11(16)12(9)13/h5-7,9H,1,8,16H2,2-3H3.
What are the key properties of 7-fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine?
7-fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine has a molecular weight of 217.29 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,1-dimethyl-3-propa-1,2-dienyl-2,3-dihydroinden-4-amine is sourced from PubChem (CID 145370986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).