(1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine

C7H10FN — CID 88579423

IUPAC(1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine
SMILESC=C(F)/C=C\C(C)=C/N
InChIInChI=1S/C7H10FN/c1-6(5-9)3-4-7(2)8/h3-5H,2,9H2,1H3/b4-3-,6-5-
InChIKeySCDREKXVPAGHRO-OUPQRBNQSA-N
MW127.16 g/mol
LogP1.89
Rot. Bonds2

About (1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine

(1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine (PubChem CID 88579423) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine
PubChem CID88579423
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine
SMILESC=C(F)/C=C\C(C)=C/N
InChIInChI=1S/C7H10FN/c1-6(5-9)3-4-7(2)8/h3-5H,2,9H2,1H3/b4-3-,6-5-
InChIKeySCDREKXVPAGHRO-OUPQRBNQSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Aminofulvene
CID 21721106
(1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 87085214
(1E,3Z,6E)-1,6-difluoro-4-methylhepta-1,3,6-triene-1,7-diamine
CID 87422780
(1E,3Z)-4-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 88063248
(1E,3Z)-2-(bromomethyl)-5-fluoropenta-1,3-dien-1-amine
CID 88215505
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(E)-4-fluoro-2-methylidenehex-3-en-1-amine
CID 88557724
(1Z,3E)-5-fluoro-4-iodo-2-methylhexa-1,3,5-trien-1-amine
CID 88579425
(E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine
CID 88961311
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
(Z)-5-fluoro-2-methylidenehept-3-en-1-amine
CID 89090828
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine
CID 89099064

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine (CID 88579423) is (1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine is C=C(F)/C=C\C(C)=C/N.
What is the InChIKey of (1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine?
The InChIKey is SCDREKXVPAGHRO-OUPQRBNQSA-N. The full InChI is InChI=1S/C7H10FN/c1-6(5-9)3-4-7(2)8/h3-5H,2,9H2,1H3/b4-3-,6-5-.
What are the key properties of (1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine has a molecular weight of 127.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 88579423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).