(1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine

C10H16FN — CID 146220762

IUPAC(1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine
SMILESC/C=C\C(=C/C(F)=C\N)C(C)C
InChIInChI=1S/C10H16FN/c1-4-5-9(8(2)3)6-10(11)7-12/h4-8H,12H2,1-3H3/b5-4-,9-6+,10-7+
InChIKeyRTPDDYWBAZDTAW-RPINECDISA-N
MW169.24 g/mol
LogP2.91
Rot. Bonds3

About (1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine

(1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine (PubChem CID 146220762) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine
PubChem CID146220762
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine
SMILESC/C=C\C(=C/C(F)=C\N)C(C)C
InChIInChI=1S/C10H16FN/c1-4-5-9(8(2)3)6-10(11)7-12/h4-8H,12H2,1-3H3/b5-4-,9-6+,10-7+
InChIKeyRTPDDYWBAZDTAW-RPINECDISA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.91
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 (1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine (CID 146220762) is (1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine is C/C=C\C(=C/C(F)=C\N)C(C)C.
What is the InChIKey of (1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine?
The InChIKey is RTPDDYWBAZDTAW-RPINECDISA-N. The full InChI is InChI=1S/C10H16FN/c1-4-5-9(8(2)3)6-10(11)7-12/h4-8H,12H2,1-3H3/b5-4-,9-6+,10-7+.
What are the key properties of (1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine?
(1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 146220762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).