(Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine

C12H16FN — CID 143797765

IUPAC(Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine
SMILESCC1C=CC=C(C/C(=C/F)CN)C=C1
InChIInChI=1S/C12H16FN/c1-10-3-2-4-11(6-5-10)7-12(8-13)9-14/h2-6,8,10H,7,9,14H2,1H3/b12-8-
InChIKeyDZVRZLMYUQFZQU-WQLSENKSSA-N
MW193.26 g/mol
LogP2.88
Rot. Bonds3

About (Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine

(Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine (PubChem CID 143797765) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is (Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine
PubChem CID143797765
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name(Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine
SMILESCC1C=CC=C(C/C(=C/F)CN)C=C1
InChIInChI=1S/C12H16FN/c1-10-3-2-4-11(6-5-10)7-12(8-13)9-14/h2-6,8,10H,7,9,14H2,1H3/b12-8-
InChIKeyDZVRZLMYUQFZQU-WQLSENKSSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine (CID 143797765) is (Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine is CC1C=CC=C(C/C(=C/F)CN)C=C1.
What is the InChIKey of (Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is DZVRZLMYUQFZQU-WQLSENKSSA-N. The full InChI is InChI=1S/C12H16FN/c1-10-3-2-4-11(6-5-10)7-12(8-13)9-14/h2-6,8,10H,7,9,14H2,1H3/b12-8-.
What are the key properties of (Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine?
(Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 193.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 143797765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).