(2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine

C8H14FN — CID 144501901

IUPAC(2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine
SMILESCC(C)=C/C(CF)=C(\C)N
InChIInChI=1S/C8H14FN/c1-6(2)4-8(5-9)7(3)10/h4H,5,10H2,1-3H3/b8-7-
InChIKeyXWFWMQUTGXCQHB-FPLPWBNLSA-N
MW143.20 g/mol
LogP2.15
Rot. Bonds2

About (2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine

(2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine (PubChem CID 144501901) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine
PubChem CID144501901
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine
SMILESCC(C)=C/C(CF)=C(\C)N
InChIInChI=1S/C8H14FN/c1-6(2)4-8(5-9)7(3)10/h4H,5,10H2,1-3H3/b8-7-
InChIKeyXWFWMQUTGXCQHB-FPLPWBNLSA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine?
The IUPAC name of (2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine (CID 144501901) is (2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine?
The canonical SMILES for (2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine is CC(C)=C/C(CF)=C(\C)N.
What is the InChIKey of (2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine?
The InChIKey is XWFWMQUTGXCQHB-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H14FN/c1-6(2)4-8(5-9)7(3)10/h4H,5,10H2,1-3H3/b8-7-.
What are the key properties of (2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine?
(2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine has a molecular weight of 143.20 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine is sourced from PubChem (CID 144501901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).